SCHEMBL957181

SCHEMBL957181

Cc1ccc(F)cc1CC#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.40
HTR2A P28223 2/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.37
P2RX7 Q99572 1/20 0.36
MPO P05164 1/20 0.34
PGR P06401 4/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2D6 P10635 3/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2286658 0.84 P2RX7 (0.38) SLC6A4HTR2AKCNH2HTTP2RX7
SCHEMBL27485864 0.80 SLC6A4 (0.36) SLC6A4HTR2AKCNH2P2RX7MAPT
Water SCHEMBL17670054 0.79 TAAR1 (0.50) HTTMAPTTDP1L3MBTL1KDM4E
SCHEMBL29618975 0.79 PSEN1 (0.40) SLC6A4HTR2AKCNH2MPOALDH1A1
SCHEMBL1020440 0.79 PSEN1 (0.40) SLC6A4HTR2AKCNH2MPOALDH1A1
SCHEMBL1019451 0.79 TAAR1 (0.50) HTTMAPTTDP1L3MBTL1KDM4E
SCHEMBL13548300 0.78 SLC6A4 (0.35) SLC6A4HTR2AKCNH2P2RX7MPO
SCHEMBL8763098 0.78 ENPP2 (0.39) HTTMAPTTDP1L3MBTL1KDM4E
SCHEMBL2990425 0.77 SLC6A4 (0.43) SLC6A4HTR2AKDM4EALDH1A1SLC6A2
SCHEMBL6002267 0.77 MAPT (0.35) SLC6A4HTR2AKCNH2P2RX7MPO

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096654-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
CN-116854668-B Phthalazinone compound, pharmaceutical composition and application thereof 中国药科大学 2025-02-07 CN disclosed
US-20240376056-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2024-11-14 US disclosed
US-20020077356-A1 Nonsteroidal antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
WO-2002010143-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 WO disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
EP-0034415-B1 1-(CYCLOHEXYL OR CYCLOHEXENYL)-4-ARYL-4-PIPERIDINECARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-05-30 EP disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US disclosed
US-4369184-A ANTIHISTAMINES; HETEROCYCLIC NITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-18 US disclosed
EP-0034415-A1 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-08-26 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 (2 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-20020077356-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGES2, PTGES SLC6A4 3556/4885HTR2A 2195/4885KCNH2 3814/4885
US-20240376056-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF IL17A, IL1A, IL2 SLC6A4 4716/4885HTR2A 3017/4885KCNH2 4337/4885

“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.