SCHEMBL5497908

SCHEMBL5497908

c1ccc(N2CC3CC2CN3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.68
CHRNA4 P43681 10/20 0.68
CHRNB4 P30926 1/20 0.68
CHRNA3 P32297 1/20 0.68

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
SCHEMBL26288696 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13589901 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
Bromide SCHEMBL5075013 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13166502 0.85 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5490131 0.85 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24028165 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15790545 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3711991 0.85 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16570342 0.85 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10511270 0.85 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151809-A1 INHIBITORS OF BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 (BMPR2) AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2024-07-18 WO disclosed
US-11851435-B2 PTGR2 inhibitors and their use NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-12-26 US disclosed
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE NATIONAL TAIWAN UNIVERSITY (TW) 2023-09-07 US disclosed
EP-1757608-A1 New benzazepine derivatives, medicaments containing the same and their use in the preparation of medicaments Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2007-02-28 EP disclosed
US-7101890-B2 Benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2006-09-05 US disclosed
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2004-04-08 US disclosed
US-6638925-B2 In particular benzofuro(3a,3,2,ef)(2)benzazepin; treatment of Alzheimer's disease and related dementia conditions, Langdon-Down syndrome SANOCHEMIA LTD. (MT) 2003-10-28 US disclosed
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 2003-05-15 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-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS PSEN2, BACE2, BACE1 CHRNB2 108/4885CHRNA4 354/4885CHRNB4 170/4885
US-11851435-B2 PTGR2 inhibitors and their use PTGFR, PTGIR, PTGDR2 CHRNB2 1599/4885CHRNA4 3060/4885CHRNB4 2916/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 CHRNB2 84/4885CHRNA4 153/4885CHRNB4 92/4885
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE PTGFR, PTGIR, PTGDR2 CHRNB2 1599/4885CHRNA4 3060/4885CHRNB4 2916/4885

“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.