SCHEMBL3087214

SCHEMBL3087214

c1ccc2c(c1)SCN2C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 5/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM1A O60341 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL180964 0.95 BCHE (0.41) MEN1GAAKMT2ABCHEHTR2A
SCHEMBL30600476 0.95 BCHE (0.41) MEN1GAAKMT2ABCHEHTR2A
SCHEMBL29221626 0.92 GRIA2 (0.38) KMT2ABCHEHTR2AHTR2CHTR2B
SCHEMBL21437163 0.86 BCHE (0.38) MEN1KMT2ABCHEHTR2AALDH1A1
SCHEMBL4482120 0.75 KMT2A (0.49) MEN1GAAKMT2AHTR2AHTR2C
SCHEMBL3267628 0.67 HTR2C (0.38) MEN1GAAKMT2AHTR2AHTR2C
SCHEMBL6534530 0.66 BCHE (0.44) MEN1KMT2ABCHEHTR2ANPC1
SCHEMBL8464806 0.66 ALOX15 (0.41) BCHEHTR2AKDM1ANPC1ALDH1A1
SCHEMBL2513920 0.66 NOTUM (0.42) GAAKMT2ABCHEALDH1A1SMN1; SMN2
SCHEMBL4538011 0.66 NOTUM (0.38) KMT2ABCHENPC1ALDH1A1RAB9A

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
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 MEN1 1533/4885GAA 913/4885KMT2A 973/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B MEN1 4191/4885GAA 408/4885KMT2A 258/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B MEN1 4191/4885GAA 408/4885KMT2A 258/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B MEN1 2336/4885GAA 1082/4885KMT2A 464/4885

“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.