SCHEMBL455528

SCHEMBL455528

Clc1[c]ccc(C2CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
QDPR P09417 1/20 0.31
ESR2 Q92731 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL435127 0.92 KMO (0.39) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL28072712 0.74 POLB (0.33) POLBQDPRESR2NOTUM
SCHEMBL455761 0.73 POLB (0.31) POLB
SCHEMBL27822764 0.73 POLB (0.32) POLBQDPRESR2NOTUM
SCHEMBL1419195 0.73 POLB (0.32) POLBQDPRESR2NOTUM
SCHEMBL458962 0.73 HTR2C (0.37) POLBQDPRESR2NOTUM
SCHEMBL27667210 0.72
SCHEMBL28299092 0.70 HDAC8 (0.38) POLBCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15352868 0.70 HTR2C (0.40) POLBNOTUM
SCHEMBL458578 0.68 DRD2 (0.35) SLC6A4QDPRESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223753-A1 AROYL SUBSTITUTED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2023-08-09 EP claimed
CN-116234550-A Aromatic formyl substituted tricyclic compound and preparation method and application thereof 劲方医药科技(上海)有限公司 2023-06-06 CN claimed
EP-3341357-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-07-04 EP claimed
WO-2017037595-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-09 WO claimed
CN-105175414-A Imidazole [4,5-b] pyridine mercaptoacetamide derivative as well as preparation method and application thereof UNIV SHANDONG 2015-12-23 CN claimed
CN-101899013-A 2-(2-substituted aryl-2H-1,2,4-triazole-3-sulfydryl) acetamide derivative and preparation method and application thereof UNIV SHANDONG 2010-12-01 CN claimed
EP-4223753-A1 AROYL SUBSTITUTED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2023-08-09 EP disclosed
CN-116234550-A Aromatic formyl substituted tricyclic compound and preparation method and application thereof 劲方医药科技(上海)有限公司 2023-06-06 CN disclosed
CN-115485266-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
EP-3519389-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-08-07 EP disclosed
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 US disclosed
WO-2009158426-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
EP-2132211-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS Ardea Biosciences, Inc. (US) 2009-12-16 EP disclosed
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES (US) 2009-11-12 US disclosed
US-7595324-B2 Substituted thieno[3,2-D]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2009-09-29 US disclosed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US disclosed
WO-2008058285-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-05-15 WO disclosed
US-5174997-A Fungicides tolerated by plants BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 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-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 POLB 60/4885CYP2D6 389/4885SLC6A2 2375/4885
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA POLB 1522/4885CYP2D6 1589/4885SLC6A2 4834/4885
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA POLB 1658/4885CYP2D6 1690/4885SLC6A2 4845/4885
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 POLB 60/4885CYP2D6 389/4885SLC6A2 2375/4885
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C POLB 2642/4885CYP2D6 4024/4885SLC6A2 4858/4885

“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.