SCHEMBL937637

SCHEMBL937637

O=C(N1CCCC1)N1CCNCC1

nearest known ligand 0.95

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.95
CHKA P35790 1/20 0.95
ALDH1A1 P00352 4/20 0.62
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
HSD11B1 P28845 2/20 0.41
USP2 O75604 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL3175235 0.97 CA2 (1.00) CA2CHKAALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL23124310 0.97 CA2 (0.91) CA2CHKAALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL30493400 0.95 CA2 (0.95) CA2CHKAALDH1A1CA12CA1
SCHEMBL23124372 0.95 CA2 (0.86) CA2CHKAALDH1A1CA12CA1
SCHEMBL27793589 0.92 CA2 (0.82) CA2CHKAALDH1A1CA12CA1
SCHEMBL2561632 0.92 CA2 (0.80) CA2CHKAALDH1A1CA12CA1
SCHEMBL27713059 0.89 CA2 (0.76) CA2CHKAALDH1A1CA12CA1
SCHEMBL10665698 0.89 CA2 (0.76) CA2CHKAALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL27766200 0.89 CA2 (0.76) CA2CHKAALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL27001665 0.89 CA2 (0.76) CA2CHKAALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473471-A Substituted thiourocystine derivatives as androgen receptor antagonists 詹森药业有限公司 2018-08-31 CN claimed
US-20250388589-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO LTD (CN) 2025-12-25 US disclosed
EP-4514803-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF Danatlas Pharmaceuticals Co., Ltd. (CN) 2025-03-05 EP disclosed
EP-4506344-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF Bebetter Med Inc. (CN) 2025-02-12 EP disclosed
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF BEBETTER MED INC. (CN) 2025-01-30 US disclosed
CN-116615417-B 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2024-05-14 CN disclosed
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 US disclosed
WO-2023208092-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-11-02 WO disclosed
WO-2023185821-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-10-05 WO disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
EP-0874841-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR B2 ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-11-04 EP disclosed
WO-1997024349-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-07-10 WO disclosed
US-4935419-A For psychosis and depression KABI PHARMACIA AKTIEBOLAG (SE) 1990-06-19 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 (7 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 CA2 2833/4885CHKA 4479/4885ALDH1A1 86/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CA2 1982/4885CHKA 208/4885ALDH1A1 3901/4885
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP11B2, SDHA, CYP3A43 CA2 3053/4885CHKA 647/4885ALDH1A1 740/4885
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF CYP46A1, CYP4A22, CYP2C19 CA2 4431/4885CHKA 3357/4885ALDH1A1 233/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CA2 3902/4885CHKA 1031/4885ALDH1A1 3073/4885
US-20250388589-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP4A11, CYP11B1, CYP2D6 CA2 445/4885CHKA 550/4885ALDH1A1 1726/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 CA2 4434/4885CHKA 1068/4885ALDH1A1 749/4885

“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.