SCHEMBL209069

SCHEMBL209069

c1cncc(CN2CCNCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.72
CHRNA4 P43681 1/20 0.72
SIGMAR1 Q99720 1/20 0.62
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TRPV6 Q9H1D0 2/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
CASP1 P29466 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CXCR4 P61073 1/20 0.50
GFER P55789 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49

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
SCHEMBL31256877 1.00 CHRNB2 (0.72) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27844692 0.98 CHRNB2 (0.70) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1028332 0.98 CHRNB2 (0.70) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4471980 0.98 CHRNB2 (0.70) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
SCHEMBL13843567 0.94 CHRNB2 (0.73) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
SCHEMBL28287855 0.92 CHRNB2 (0.62) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
SCHEMBL3992871 0.91 CHRNB2 (0.69) CHRNB2CHRNA4SIGMAR1TDP1CASP1
SCHEMBL16026435 0.87 CHRNB2 (0.85) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL4774576 0.86 KDM4E (0.56) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1
Tert-Butyl Formate SCHEMBL27844848 0.84 CHRNB2 (0.52) CHRNB2CHRNA4SIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US claimed
CN-104507950-B Thienopyrimidines 拜耳医药股份有限公司 2017-03-22 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
WO-2026102212-A1 MACROCYCLIC MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2026-05-15 WO disclosed
US-20250276964-A1 Benzisoxazole Derivatives and Uses thereof NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-09-04 US disclosed
CN-119775261-A Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2025-04-08 CN disclosed
CN-117069686-B Genipin derivative, preparation method and application thereof 安徽中医药大学 2025-03-11 CN disclosed
US-12234225-B2 IL-17 ligands and uses thereof DICE ALPHA, INC. (US) 2025-02-25 US disclosed
CN-115427404-B Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2024-12-13 CN disclosed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed
EP-1082308-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-14 EP disclosed
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
WO-1999054305-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ CHRNB2 1575/4885CHRNA4 1820/4885SIGMAR1 2433/4885
US-20250276964-A1 Benzisoxazole Derivatives and Uses thereof HBZ, ZFX, WIZ CHRNB2 2282/4885CHRNA4 2095/4885SIGMAR1 2929/4885
US-12234225-B2 IL-17 ligands and uses thereof IL17A, IL2, IL15 CHRNB2 3891/4885CHRNA4 4407/4885SIGMAR1 3546/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ CHRNB2 1575/4885CHRNA4 1820/4885SIGMAR1 2433/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS CHRNB2 4875/4885CHRNA4 4885/4885SIGMAR1 3986/4885

“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.