SCHEMBL320700

SCHEMBL320700

CCCCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 3/20 0.46
CYP3A4 P08684 1/20 0.46
CNR2 P34972 1/20 0.45
GPR84 Q9NQS5 2/20 0.41
SKP2 Q13309 1/20 0.41
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.39
KCNH2 Q12809 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTRC Q99895 1/20 0.38

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
SCHEMBL14402466 0.93 PTGS2 (0.56) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL10441595 0.91 PTGS2 (0.57) PTGS2CYP3A4GPR84KCNH2
SCHEMBL16953618 0.87 HPGD (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9343347 0.85 NPC1 (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL16953298 0.85 HPGD (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL3787612 0.85 CYP3A4 (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL18556911 0.85 NPC1 (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL7634231 0.84 TSHR (0.44) PTGS2CYP3A4CNR2TSHRIDO1
SCHEMBL28224678 0.84 TSHR (0.50) CYP3A4TSHRIDO1
SCHEMBL28132886 0.83 PTGS2 (0.47) NPC1HPGDMAPK1HTTRAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
CN-103097364-B Spiro-piperidine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2015-11-25 CN disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
CN-103097364-A Spiro-piperidine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2013-05-08 CN disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP 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 (10 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 NPC1 445/4885HPGD 1112/4885MAPK1 1447/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 NPC1 462/4885HPGD 2889/4885MAPK1 2482/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 NPC1 403/4885HPGD 1152/4885MAPK1 1242/4885
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME GAP43, NCDN, NLN NPC1 288/4885HPGD 1134/4885MAPK1 4052/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 NPC1 445/4885HPGD 1112/4885MAPK1 1447/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN NPC1 288/4885HPGD 1134/4885MAPK1 4052/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 NPC1 462/4885HPGD 2889/4885MAPK1 2482/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 NPC1 2971/4885HPGD 3076/4885MAPK1 128/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 NPC1 445/4885HPGD 1112/4885MAPK1 1447/4885
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR NPC1 634/4885HPGD 595/4885MAPK1 2905/4885

“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.