SCHEMBL12099686

SCHEMBL12099686

O=Cc1nc(N2CCC(Oc3ccc(Cl)cc3)CC2)cn1-c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.42
FFAR1 O14842 6/20 0.40
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
CNR1 P21554 1/20 0.37
ACACB O00763 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
GPR6 P46095 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
SCHEMBL12099739 0.72 EPHX2 (0.45) FFAR1KCNH2FPR2PROKR1CNR1
SCHEMBL1811615 0.71 CNR1 (0.47) CNR1
SCHEMBL12100032 0.69 EPHX2 (0.39) FFAR1HRH3KCNH2FPR2PROKR1
SCHEMBL12099998 0.68 HRH3 (0.43) HRH3KCNH2
SCHEMBL12099792 0.68 FPR2 (0.39) SCDFFAR1HRH3KCNH2FPR2
SCHEMBL12099396 0.67 SCN9A (0.38) FPR2PROKR1ACACB
SCHEMBL12100063 0.67 FFAR1 (0.39) FFAR1HRH3KCNH2FPR2PROKR1
SCHEMBL12099311 0.66 FPR2 (0.57) FFAR1FPR2PROKR1ACACBGPR6
SCHEMBL12099791 0.66 HRH3 (0.41) FFAR1HRH3KCNH2GPR6
SCHEMBL5543282 0.66 AKR1C3 (0.46) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B SCD 2367/4885FFAR1 793/4885HRH3 1010/4885

“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.