SCHEMBL3628527

SCHEMBL3628527

c1ccc(NCC2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.53
KDM1A O60341 9/20 0.53
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
KHK P50053 1/20 0.47
TRIM58 Q8NG06 2/20 0.46
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1B Q8NB78 1/20 0.43
KCNH3 Q9ULD8 1/20 0.42

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
Methane SCHEMBL3590620 0.98 GBA1 (0.52) GBA1KDM1AMAOBMAOACARM1
Hydrochloric Acid SCHEMBL28223443 0.98 GBA1 (0.52) GBA1KDM1AMAOBMAOACARM1
SCHEMBL1203475 0.89 KDM1A (0.55) GBA1KDM1AMAOBMAOACARM1
SCHEMBL27551537 0.89 KDM1A (0.55) GBA1KDM1AMAOBMAOACARM1
SCHEMBL18434523 0.86 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL10055002 0.86 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL10055063 0.86 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL1722281 0.86 CARM1 (0.57) GBA1CARM1PRMT6SIGMAR1NPC1
SCHEMBL872221 0.82 CARM1 (0.54) GBA1CARM1PRMT6NPC1RAB9A
SCHEMBL9679337 0.82 EPHX1 (0.54) CARM1PRMT6NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
WO-2017202704-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
WO-2009076622-A2 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-18 WO disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R GBA1 1251/4885KDM1A 828/4885MAOB 319/4885
US-10370338-B2 Benzazepine dicarboxamide compounds with tertiary amide function TLR1, TLR5, TLR4 GBA1 1097/4885KDM1A 395/4885MAOB 3232/4885
US-20190077763-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION TLR1, TLR5, TLR4 GBA1 1097/4885KDM1A 395/4885MAOB 3232/4885
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST GBA1 3309/4885KDM1A 4416/4885MAOB 348/4885

“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.