SCHEMBL1960092

SCHEMBL1960092

CCCC[Sn](CCCC)(CCCC)c1ccn(-c2ccccc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GRM2 Q14416 1/20 0.33
APLNR P35414 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CDC25B P30305 1/20 0.31

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
SCHEMBL6078181 0.84 MGLL (0.35) APLNRTLR8
SCHEMBL1961906 0.80 MAPT (0.40) CYP2C9KDM4EHSD17B10
SCHEMBL1960072 0.77 KMT2A (0.38) NOTUMGRM2CYP1A2CYP3A4CYP2C9
SCHEMBL1963427 0.76 KEAP1 (0.41) NOTUMGRM2ADORA3TLR8CDC25B
SCHEMBL1960161 0.75 GRM5 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL20658934 0.74 CYP1A2 (0.30) SIGMAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1961281 0.72 ELOVL1 (0.37)
SCHEMBL1085974 0.71 CYP19A1 (0.42) KDM4EALDH1A1
SCHEMBL13078703 0.69 MAPT (0.52) NOTUMADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL1500683 0.68 KCNN4 (0.41)

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 NOTUM 562/4885SIGMAR1 2095/4885GRM2 1846/4885

“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.