SCHEMBL165812

SCHEMBL165812

c1ccc(C2=NCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.87
CHRNA3 P32297 10/20 0.87
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
THRB P10828 1/20 0.62
CYP2C19 P33261 1/20 0.62
CHRNA7 P36544 2/20 0.59
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NOS3 P29474 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL895500 0.93 CHRNB4 (1.00) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL6797483 0.91 CHRNB4 (0.96) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL18985115 0.84 CHRNB4 (0.67) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL895819 0.82 CHRNB4 (0.67) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL20411025 0.81 CHRNB4 (0.60) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL27584798 0.79 ALDH1A1 (0.60) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL1357487 0.78 CHRNB4 (0.56) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL24414772 0.77 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL15665457 0.77 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL3574404 0.77 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686616-A Process for preparing an optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-11 US claimed
US-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM UNIV GLASGOW COURT (GB) 2025-12-25 US disclosed
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
EP-4548355-A1 CHEMICAL SYNTHESIS PLATFORM The University Court Of The University Of Glasgow (GB) 2025-05-07 EP disclosed
EP-4545515-A1 BCL-2 INHIBITORS BeiGene Switzerland GmbH (CH) 2025-04-30 EP disclosed
US-20240376104-A1 Bcl-2 Inhibitors BEIGENE LTD. (KY) 2024-11-14 US disclosed
US-12077536-B2 BCL-2 inhibitors BEIGENE, LTD. (KY) 2024-09-03 US disclosed
CN-118104642-A Emulsifier for anti-decomposition pinoxaden emulsifiable concentrate as well as preparation method and application thereof 沧州鸿源农化有限公司 2024-05-31 CN disclosed
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
EP-1064287-A1 USE OF AMINOPHOSPHONATES AS 31 P-NMR PH INDICATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-01-03 EP disclosed
US-6072085-A COMBINING SUBSTRATE IMINE, NUCLEOPHILIC ACTIVATOR, SILANE, METAL CATALYST, WHEREIN CATALYST CATALYZES REDUCTION OF IMINE BY HYDROSILATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-06-06 US disclosed
WO-1999047527-A1 USE OF AMINOPHOSPHONATES AS31P NMR pH INDICATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CN RS) (FR) 1999-09-23 WO disclosed
US-5686616-A Process for preparing an optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-11 US disclosed
CN-1107475-A Pyrrolidine derivatives inhibitors of lfukotriene biosynthesis BOEHRINGER INGELHEIM PHARMA (US) 1995-08-30 CN disclosed
EP-0657451-A2 Pyrrolidine derivatives inhibitors of leukotriene biosynthesis BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1995-06-14 EP disclosed
US-5292893-A Catalytic asymmetric and non-asymmetric reduction of times and oximes using metal catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-03-08 US disclosed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP disclosed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 WO disclosed
US-3931155-A ANTICOAGULANT RICHARDSON-MERRELL INC. (US) 1976-01-06 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 (4 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-12077536-B2 BCL-2 inhibitors BCL2, BCL2L1, BCL2L2 CHRNB4 4860/4885CHRNA3 4851/4885ALDH1A1 3125/4885
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 CHRNB4 1310/4885CHRNA3 2157/4885ALDH1A1 825/4885
US-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM SET, CBS, COASY CHRNB4 3921/4885CHRNA3 3591/4885ALDH1A1 2847/4885
US-20240376104-A1 Bcl-2 Inhibitors BCL2, BCL2L1, BCL2L2 CHRNB4 4860/4885CHRNA3 4851/4885ALDH1A1 3125/4885

“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.