SCHEMBL16712995

SCHEMBL16712995

O=C(NCCc1ccccc1F)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.62
HIF1A Q16665 6/20 0.59
ROCK2 O75116 1/20 0.56
RPS6KA5 O75582 1/20 0.56
MAP4K4 O95819 1/20 0.56
PRKCG P05129 1/20 0.56
PRKACA P17612 1/20 0.56
RPS6KB1 P23443 1/20 0.56
MAPK1 P28482 1/20 0.56
AKT1 P31749 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
PRKX P51817 1/20 0.56
PRKCD Q05655 1/20 0.56
PRKG2 Q13237 1/20 0.56
ROCK1 Q13464 1/20 0.56
DYRK1A Q13627 1/20 0.56
PRKG1 Q13976 1/20 0.56
PKN2 Q16513 1/20 0.56
CDC42BPA Q5VT25 1/20 0.56

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
SCHEMBL1568144 0.92 RAB9A (0.64) TRPV1HIF1ANPC1PAX8KLF5
SCHEMBL28594259 0.84 HIF1A (0.84) HIF1ANPC1P2RX7RAB9AALDH1A1
SCHEMBL3065901 0.82 TRPV1 (0.74) TRPV1HIF1ANPC1PAX8KLF5
SCHEMBL16712965 0.81 ROCK2 (0.66) HIF1AROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL95489 0.81 TRPV1 (0.67) TRPV1HIF1ANPC1PAX8KLF5
SCHEMBL3818841 0.81 RAB9A (0.83) HIF1AROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL4673005 0.81 CDK4 (0.59) TRPV1GSK3BNPC1RAB9AMEN1
SCHEMBL4927375 0.79 ACKR3 (0.57) TRPV1HIF1AROCK2GSK3BROCK1
SCHEMBL16712962 0.78 MCHR1 (0.68) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL5214716 0.78 HIF1A (0.58) TRPV1HIF1ANPC1PAX8KLF5

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-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
WO-2015070170-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-05-14 WO 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-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA TRPV1 4286/4885HIF1A 1514/4885ROCK2 2/4885

“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.