SCHEMBL3184201

SCHEMBL3184201

CC(C(=O)NC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
HPGDS O60760 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
BDKRB2 P30411 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 2/20 0.44
RXFP1 Q9HBX9 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL15194826 0.88 TRPV1 (0.47) TRPV1HPGDSALDH1A1KDM4ENPC1
SCHEMBL15189100 0.78 GRM7 (0.68) RAB9ASMN1; SMN2LMNAPOLBTSHR
SCHEMBL531094 0.76 HPGDS (0.72) TRPV1HPGDSNPC1KMT2AGAA
SCHEMBL28169186 0.76 MGAM (0.51) TRPV1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9260619 0.76 EPHX1 (0.56) SMN1; SMN2LMNATSHREPHX1HTT
SCHEMBL846535 0.75 AKR1C3 (0.62) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31016541 0.75 AKR1C3 (0.62) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL530206 0.74 EPHX2 (0.59) TRPV1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL530207 0.74 TRPV1 (0.46) TRPV1HPGDSALDH1A1KDM4ENPC1
SCHEMBL10528147 0.74 HTT (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 TRPV1 2568/4885HPGDS 106/4885ALDH1A1 3253/4885

“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.