SCHEMBL19852534

SCHEMBL19852534

c1ccc(N2C3CNCC2C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
BPTF Q12830 1/20 0.48
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 5/20 0.40
KCNH2 Q12809 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRNA7 P36544 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL19838619 0.87 OPRM1 (0.62) OPRM1BPTFCHRNB2CHRNA4HTR2A
SCHEMBL7239902 0.87 OPRM1 (0.62) OPRM1BPTFCHRNB2CHRNA4HTR2A
SCHEMBL20853143 0.77 CHRM2 (0.48) OPRM1BPTFCHRNB2CHRNA4CHRNB4
SCHEMBL24989616 0.75 HRH3 (0.46) OPRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29327306 0.74 HTR2C (0.51) BPTFHTR2AHTR2CHTR2BKCNH2
SCHEMBL21852905 0.74 KCNH2 (0.40) OPRM1BPTFCHRNB2CHRNA4CHRNB4
SCHEMBL27777689 0.74 HTR2C (0.51) BPTFHTR2AHTR2CHTR2BKCNH2
Hydrochloric Acid SCHEMBL18043605 0.72 HTR2C (0.50) BPTFHTR2AHTR2CHTR2BKCNH2
SCHEMBL25766745 0.71 NPY1R (0.41) OPRM1KCNH2
SCHEMBL25764685 0.70 MBTD1 (0.45) OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-10370338-B2 Benzazepine dicarboxamide compounds with tertiary amide function HOFFMANN-LA ROCHE INC. (US) 2019-08-06 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190077763-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION HOFFMANN-LA ROCHE INC. (US) 2019-03-14 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 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 (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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C OPRM1 171/4885BPTF 2707/4885CHRNB2 33/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OPRM1 171/4885BPTF 2707/4885CHRNB2 33/4885
US-10370338-B2 Benzazepine dicarboxamide compounds with tertiary amide function TLR1, TLR5, TLR4 OPRM1 1883/4885BPTF 1460/4885CHRNB2 2909/4885
US-20190077763-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION TLR1, TLR5, TLR4 OPRM1 1883/4885BPTF 1460/4885CHRNB2 2909/4885

“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.