SCHEMBL8239398

SCHEMBL8239398

CN[C@H](C)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ACHE P22303 1/20 0.56
ALDH1A1 P00352 4/20 0.53
CYP2D6 P10635 1/20 0.53
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ACACB O00763 1/20 0.49
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46
KDM1A O60341 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACP3 P15309 2/20 0.45

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
SCHEMBL13462356 1.00 CA1 (0.56) CA1CA2ACHEALDH1A1CYP2D6
SCHEMBL327954 1.00 CA1 (0.56) CA1CA2ACHEALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL3654829 0.98 CA1 (0.55) CA1CA2ACHEALDH1A1CYP2D6
SCHEMBL28660520 0.84 CA1 (0.58) CA1CA2ACHEALDH1A1CA12
SCHEMBL24258312 0.82 ALOX5 (0.60) CYP2D6TDP1L3MBTL1TSHRMAPT
SCHEMBL28277742 0.82 CA1 (0.56) CA1CA2ACHEALDH1A1CA12
SCHEMBL24105692 0.82 CA1 (0.56) CA1CA2ACHEALDH1A1CYP2D6
SCHEMBL19286211 0.82 CA1 (0.56) CA1CA2ACHEALDH1A1CA12
SCHEMBL8284262 0.80 ACACB (0.50) ALDH1A1CYP2D6ACACBMAPK1MEN1
SCHEMBL24105676 0.80 CA1 (0.55) CA1CA2ACHEALDH1A1CA12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043602-B2 Fendiline derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-23 US disclosed
US-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 EP disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
WO-2007020502-A2 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 WO disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO 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 (7 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-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 CA1 452/4885CA2 1683/4885ACHE 14/4885
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 CA1 871/4885CA2 2233/4885ACHE 15/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CA1 3685/4885CA2 3217/4885ACHE 4858/4885
US-12043602-B2 Fendiline derivatives CYP11B2, CYP3A7, CYP4F2 CA1 4770/4885CA2 4359/4885ACHE 859/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A CA1 2734/4885CA2 421/4885ACHE 167/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CA1 2245/4885CA2 410/4885ACHE 180/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 CA1 409/4885CA2 2162/4885ACHE 13/4885

“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.