SCHEMBL1960679

SCHEMBL1960679

O=C(Nc1cccnc1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
RAB9A P51151 5/20 0.56
FAAH O00519 2/20 0.56
HTR2C P28335 1/20 0.56
GRIN2B Q13224 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54

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
Hydrochloric Acid SCHEMBL2197351 0.98 TRPV1 (0.57) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL15529643 0.95 TRPV1 (0.60) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL3768246 0.86 TRPV1 (0.60) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL29080956 0.85 RAB9A (0.58) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30791537 0.85 POLB (0.66) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL1758868 0.85 POLB (0.66) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL29372839 0.85 RAB9A (0.58) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2194067 0.84 POLB (0.68) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL6304805 0.84 HTR2C (0.70) TRPV1RAB9AFAAHHTR2CGRIN2B
SCHEMBL32668648 0.84 GRIN2B (0.55) TRPV1FAAHHTR2CGRIN2BPOLB

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
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
EP-2442809-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2016-08-31 EP disclosed
US-8829007-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC 2011-06-16 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 (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-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, PAH TRPV1 107/4885RAB9A 2528/4885FAAH 1/4885

“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.