SCHEMBL7239902

SCHEMBL7239902

c1ccc(N2C3CCC2CNC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.62
BPTF Q12830 1/20 0.48
KCNH2 Q12809 1/20 0.43
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 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
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.37

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 1.00 OPRM1 (0.62) OPRM1BPTFKCNH2HTR2AHTR2C
SCHEMBL19852534 0.87 OPRM1 (0.49) OPRM1BPTFKCNH2HTR2AHTR2C
SCHEMBL7244902 0.79 OPRM1 (0.50) OPRM1HTR2AHTR2CHTR2BADRB1
SCHEMBL7238311 0.79 OPRM1 (0.50) OPRM1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL6213251 0.79 OPRM1 (0.50) OPRM1HTR2AHTR2CHTR2BHTR3E
SCHEMBL2179007 0.77 CHRNB2 (0.59) OPRM1CHRNB2CHRNA4
SCHEMBL30796889 0.77 OPRM1 (1.00) OPRM1KCNH2HTR2AKMT2ACHRNB2
SCHEMBL7238013 0.77 OPRM1 (0.66) OPRM1BPTFHTR2AHTR2CHTR2B
SCHEMBL7244794 0.77 OPRM1 (0.57) OPRM1KCNH2HTR3EHTR3BHTR3A
SCHEMBL27456474 0.77 OPRM1 (1.00) OPRM1KCNH2HTR2AKMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531468-B2 Inhibiting serotonin reuptake in the central nervous system of a mammal PFIZER INC 2003-03-11 US claimed
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER INC. 2002-06-06 US claimed
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-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
EP-3464245-B1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION HOFFMANN LA ROCHE (CH) 2020-10-14 EP 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
EP-3464245-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION H. Hoffnabb-La Roche Ag (CH) 2019-04-10 EP 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
WO-2017202704-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
US-6531468-B2 Inhibiting serotonin reuptake in the central nervous system of a mammal PFIZER INC 2003-03-11 US disclosed
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER INC. 2002-06-06 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 (5 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 2707/4885KCNH2 158/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OPRM1 171/4885BPTF 2707/4885KCNH2 158/4885
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof CNR1, CBR1, CLIC1 OPRM1 143/4885BPTF 4399/4885KCNH2 30/4885
US-10370338-B2 Benzazepine dicarboxamide compounds with tertiary amide function TLR1, TLR5, TLR4 OPRM1 1883/4885BPTF 1460/4885KCNH2 632/4885
US-20190077763-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION TLR1, TLR5, TLR4 OPRM1 1883/4885BPTF 1460/4885KCNH2 632/4885

“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.