SCHEMBL6414947

SCHEMBL6414947

CNc1nc2c([nH]1)C=CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 6/20 0.38
BRDT Q58F21 1/20 0.35
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
TYMS P04818 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NR4A2 P43354 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPY5R Q15761 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH1 P35367 1/20 0.31
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
KMT2A Q03164 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL1963290 0.80 CSNK1D (0.37) CLPPALDH1A1POLBNR4A2KCNH2
SCHEMBL2343884 0.79 LOXL2 (0.33) CLPPCACNA1GCACNA1HCACNA1ITYMS
SCHEMBL1959677 0.77 CYP11B1 (0.38) CLPPSMN1; SMN2CYP2D6KMT2A
SCHEMBL9721642 0.75 CLPP (0.37) CLPPSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1961658 0.71 CXCR2 (0.38) CLPPSMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL1960328 0.71 GABRA1 (0.34) CLPP
SCHEMBL1960349 0.70 MEN1 (0.38) CLPPSMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL1960359 0.69 NPC1 (0.35) CLPPTYMSALDH1A1
SCHEMBL1960667 0.68 CCR2 (0.38) CLPPSMN1; SMN2ALDH1A1POLBKCNH2
SCHEMBL1962134 0.68 CXCR2 (0.39) CLPPSMN1; SMN2ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
US-5137896-A Useful in treatment of gastrointestinal and psychic disorder; analgesic, antiemetic and antiulcer agent JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-11 US disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 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 (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-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CLPP 1682/4885BRDT 2346/4885CACNA1G 4334/4885

“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.