SCHEMBL12844147

SCHEMBL12844147

CCCc1ccc(F)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
S1PR1 P21453 1/20 0.39
DAO P14920 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8875597 0.86 HSD17B10 (0.51) TP53HSD17B10KDM4EALDH1A1
SCHEMBL8876165 0.86 HSD17B10 (0.51) TP53HSD17B10KDM4EALDH1A1
SCHEMBL13548285 0.85 TRPV4 (0.53) TRPV4CNR1CNR2DAOMAOA
SCHEMBL8224122 0.85 CYP2A6 (0.47) TRPV4S1PR1DPP4DPP8AR
SCHEMBL1240018 0.83 TAAR1 (0.47) TRPV4DAOTP53HSD17B10DPP4
Hydrochloric Acid SCHEMBL28802791 0.81 TAAR1 (0.45) TRPV4DAOTP53HSD17B10DPP4
SCHEMBL27506465 0.81 TRPV4 (0.40) TRPV4CNR1S1PR1DAODPP4
SCHEMBL14782922 0.81 TRPV4 (0.40) TRPV4S1PR1DAODPP4DPP8
SCHEMBL14719941 0.81 KDM4E (0.42) TRPV4CNR2S1PR1DAODPP4
SCHEMBL9057779 0.81 CACNA1H (0.38) TRPV4S1PR1DAODPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
EP-3985010-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS Promidis S.r.l. (IT) 2022-04-20 EP disclosed
EP-3865489-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS Promidis S.r.l. (IT) 2021-08-18 EP disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK TRPV4 873/4885CNR1 423/4885CNR2 373/4885

“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.