SCHEMBL11540786

SCHEMBL11540786

COc1ccc2c(c1)/C(=N/O)CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
APP P05067 1/20 0.46
SNCA P37840 1/20 0.46
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX12 P18054 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14682173 1.00 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AAPP
SCHEMBL11540789 1.00 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AAPP
SCHEMBL14341913 0.88 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AAPP
SCHEMBL20205919 0.85 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AAPP
SCHEMBL8027812 0.85 KDM4E (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24105689 0.82 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13318788 0.80 KDM4E (0.39) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL13351584 0.80 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11743822 0.80 PIK3CA (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11743813 0.80 PIK3CA (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220102-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-14 US disclosed
WO-2020228436-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2020-11-19 WO disclosed
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
EP-2739614-B1 AMINOCHROMANEs, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2017-02-22 EP disclosed
EP-3057960-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-08-24 EP disclosed
US-20150111867-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-23 US disclosed
WO-2015055770-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-23 WO disclosed
US-8853196-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-07 US disclosed
EP-2739614-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co KG (DE) 2014-06-11 EP disclosed
WO-2013020930-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2013-02-14 WO disclosed
US-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2013-02-07 US disclosed
US-4169097-A GASTRIC ANTISECRETORY AGENTS MORTON-NORWICH PRODUCTS, INC. (US) 1979-09-25 US disclosed
US-4115407-A N-Benzyl-4-chromanamines MORTON-NORWICH PRODUCTS, INC. (US) 1978-09-19 US disclosed
US-4095023-A 6-METHOXY-N-VANILLYLIDENE-4-CHROMANAMINE MORTON-NORWICH PRODUCTS, INC. (US) 1978-06-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220220102-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF DRD3, ADRB3, VDR ALDH1A1 2173/4885MAPT 4182/4885MEN1 3664/4885
US-20130035323-A1 AMINOCHROMANE, AMINOTHIOCHROMANE AND AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC7A1, BCAT1, AADAT ALDH1A1 968/4885MAPT 861/4885MEN1 878/4885
US-20150111867-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, AADAT, BCAT1 ALDH1A1 755/4885MAPT 998/4885MEN1 1088/4885
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT ALDH1A1 968/4885MAPT 861/4885MEN1 878/4885
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT ALDH1A1 694/4885MAPT 899/4885MEN1 1196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.