SCHEMBL5366018

SCHEMBL5366018

N#CC1=Nc2ccccc2Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
TRPA1 O75762 4/20 0.42
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TDO2 P48775 1/20 0.36
CDK8 P49336 1/20 0.36
CDK5 Q00535 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MST1R Q04912 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL11102266 0.83 RXFP1 (0.37) HRH4MAPTMEN1KMT2AKDM4E
SCHEMBL31015696 0.75 TRPA1 (0.45) HRH4TRPA1SIGMAR1NOS3NOS1
SCHEMBL561485 0.75 TRPA1 (0.45) HRH4TRPA1SIGMAR1NOS3NOS1
SCHEMBL30145150 0.74 TRPA1 (0.46) HRH4TRPA1IDO1MAPTLMNA
SCHEMBL13961627 0.72 HRH4 (0.46) HRH4TRPA1MAOASIGMAR1PLK4
SCHEMBL85967 0.72 HRH4 (0.54) HRH4TRPA1MAOASIGMAR1PLK4
SCHEMBL8207110 0.72 HRH4 (0.50) HRH4TRPA1MAOASIGMAR1PLK4
SCHEMBL1772613 0.72 HRH4 (0.50) HRH4TRPA1MAOASIGMAR1PLK4
SCHEMBL14507199 0.69 IDO1 (0.50) HRH4TRPA1MAOASIGMAR1PLK4
SCHEMBL85780 0.69 TRPA1 (0.37) HRH4TRPA1SIGMAR1HRH1HTR2A

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-2021025442-A1 NOVEL METHOD FOR PRODUCING EPINASTINE 한양대학교 에리카산학협력단 2021-02-11 WO disclosed
US-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2013-08-08 US disclosed
US-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2013-08-08 US disclosed
US-7196193-B2 Method for preparing 6-aminomethyl-6, 11-dihydro-5h-dibenz[b,e]azepine KONICA MINOLTA CHEMICAL CO., LTD. (JP) 2007-03-27 US disclosed
EP-1496051-B1 METHOD FOR PREPARING 6-AMINOMETHYL-6,11-DIHYDRO-5H-DIBENZ(B,E)AZEPINE KONICA MINOLTA CHEMICAL CO LTD (JP) 2006-11-29 EP disclosed
US-20050209215-A1 Method for preparing 6-aminomethyl-6,11-dihydro-5h-dibenz[b,e]azepine KONICA MINOLTA CHEMICAL CO., LTD. (JP) 2005-09-22 US disclosed
EP-1496051-A1 METHOD FOR PREPARING 6-AMINOMETHYL-6,11-DIHYDRO-5H-DIBENZ(B,E)AZEPINE Konica Minolta Chemical Co., Ltd. (JP) 2005-01-12 EP disclosed
JP-2002193940-A PRODUCTION METHOD OF 6-AMINOMETHYL-6,11-DIHYDRO-5H- DIBENZ[b,e]AZEPINE KONICA CHEMICAL CORP 2002-07-10 JP 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 (1 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-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS TRPV1, TRPC4, TRPC3 HRH4 54/4885TRPA1 5/4885MAOA 875/4885

“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.