SCHEMBL4297540

SCHEMBL4297540

CCN1CC2CNCC2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.48
CHRNA4 P43681 14/20 0.48
CHRNB4 P30926 13/20 0.48
CHRNA3 P32297 13/20 0.48
CHRNA7 P36544 11/20 0.48
CCR5 P51681 1/20 0.40
BPTF Q12830 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL24085535 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16892081 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21217017 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8369959 0.84 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18495144 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25787402 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10263598 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12717526 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20920499 0.80 ATM (0.33) HRH3
SCHEMBL24490873 0.80 ATM (0.33) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
WO-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 WO disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
WO-2023109902-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF IN MEDICINE 海思科医药集团股份有限公司 2023-06-22 WO disclosed
WO-2023082044-A1 5-FORMYL HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF 暨南大学 2023-05-19 WO disclosed
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE INC. (US) 2005-11-17 US disclosed
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0626993-A4 FUEL ADDITIVE COMPOSITIONS CONTAINING POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS AND POLY(OXYALKYLENE) AMINES. CHEVRON RES & TECH (US) 1995-08-16 EP disclosed
EP-0653425-A1 1-(2-Fluorocyclopropyl)-quinolone- and naphthyridone carboxylic acid derivatives, their preparation and their use as antibacterials BAYER AG (DE) 1995-05-17 EP disclosed
EP-0626993-A1 FUEL ADDITIVE COMPOSITIONS CONTAINING POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS AND POLY(OXYALKYLENE) AMINES CHEVRON CHEMICAL COMPANY (US) 1994-12-07 EP disclosed
WO-1994014927-A1 FUEL ADDITIVE COMPOSITIONS CONTAINING POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS AND POLY(OXYALKYLENE) AMINES CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISION OF CHEVRON U.S.A. INC. (US) 1994-07-07 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 (6 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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 CHRNB2 475/4885CHRNA4 174/4885CHRNB4 535/4885
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CHCHD6, NAT10, RPS25 CHRNB2 4551/4885CHRNA4 4443/4885CHRNB4 4654/4885
US-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE CHRNB2 1470/4885CHRNA4 2982/4885CHRNB4 2010/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 CHRNB2 634/4885CHRNA4 307/4885CHRNB4 479/4885
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists MC4R, MC3R, MC5R CHRNB2 251/4885CHRNA4 19/4885CHRNB4 56/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS CHRNB2 4252/4885CHRNA4 4592/4885CHRNB4 4172/4885

“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.