SCHEMBL4399692

SCHEMBL4399692

Cc1ccc2c(C)noc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
BRD4 O60885 6/20 0.43
CHRNA7 P36544 2/20 0.42
HTR3A P46098 2/20 0.42
MAPT P10636 2/20 0.41
GRM4 Q14833 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL7601695 0.88 BRD4 (0.42) CHRNB2CHRNA4BRD4CHRNA7HTR3A
SCHEMBL5985206 0.83 MAPT (0.53) CHRNB2CHRNA4BRD4MAPTGRM4
SCHEMBL18805037 0.79 BRD4 (0.48) CHRNB2CHRNA4BRD4CHRNA7HTR3A
SCHEMBL4098321 0.79 ALDH1A1 (0.44) CHRNB2CHRNA4BRD4MAPTGRM4
SCHEMBL1530408 0.79 BRD4 (0.45) CHRNB2CHRNA4BRD4MAPTGRM4
SCHEMBL10222158 0.79 ALDH1A1 (0.49) CHRNB2CHRNA4BRD4CHRNA7HTR3A
SCHEMBL1121898 0.79 BRD4 (0.48) CHRNB2CHRNA4BRD4CHRNA7HTR3A
SCHEMBL18788867 0.79 CHRNB2 (0.42) CHRNB2CHRNA4BRD4GRM4ESR1
SCHEMBL745847 0.79 ESR1 (0.62) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL23474002 0.79 MAPT (0.42) CHRNA7HTR3AMAPTESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed
EP-4400505-A1 PEPTIDE-UREA DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Bivision Pharmaceuticals, Inc (CN) 2024-07-17 EP disclosed
WO-2023249872-A1 SUBSTITUTED FUSED BICYCLIC COMPOUNDS AND RELATED METHODS OF TREATMENT ALKERMES, INC. (US) 2023-12-28 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
WO-2023001028-A1 HETEROARYL-3-PIPERIDINEDIONE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-01-26 WO disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia JIANGSU GOWORTH INVESTMENT CO. LTD. (CN) 2011-06-30 US disclosed
EP-2322520-A1 ARALKYL SUBSTITUTED PIPERIDINE OR PIPERAZINE DERIVATIVES AND THEIR USE FOR TREATING SCHIZOPHRENIA Jiangsu Guohua Investment Co., Ltd (CN) 2011-05-18 EP disclosed
US-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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 (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-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 CHRNB2 4801/4885CHRNA4 4718/4885BRD4 4029/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CHRNB2 1798/4885CHRNA4 1765/4885BRD4 707/4885
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia REN, GRIK5, CAT CHRNB2 2108/4885CHRNA4 1337/4885BRD4 2355/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP CHRNB2 2195/4885CHRNA4 2858/4885BRD4 3329/4885
US-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 CHRNB2 2812/4885CHRNA4 2992/4885BRD4 2200/4885

“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.