SCHEMBL9103984

SCHEMBL9103984

NC(=O)c1ncccc1OCC1CCCN1C(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HTR1A P08908 7/20 0.42
ADRA1A P35348 4/20 0.42
DRD2 P14416 2/20 0.42
MET P08581 5/20 0.42
GRIN2C Q14957 1/20 0.41
HCRTR2 O43614 1/20 0.40
NAMPT P43490 1/20 0.40
GRM5 P41594 3/20 0.39

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
SCHEMBL9103980 1.00 HCRTR1 (0.44) HCRTR1HTR1AADRA1ADRD2MET
SCHEMBL9103413 0.93 HCRTR1 (0.44) HCRTR1METHCRTR2NAMPTGRM5
SCHEMBL9103418 0.93 HCRTR1 (0.44) HCRTR1METHCRTR2NAMPTGRM5
SCHEMBL9281079 0.89 HTR7 (0.43) HCRTR1METHCRTR2NAMPT
SCHEMBL9281080 0.89 HTR7 (0.43) HCRTR1METHCRTR2NAMPT
SCHEMBL9102305 0.88 HCRTR1 (0.43) HCRTR1METHCRTR2NAMPT
SCHEMBL9102309 0.88 HCRTR1 (0.43) HCRTR1METHCRTR2NAMPT
SCHEMBL9105328 0.86 P2RX7 (0.42) HCRTR1METHCRTR2
SCHEMBL9105324 0.86 P2RX7 (0.42) HCRTR1METHCRTR2
SCHEMBL1241492 0.83 HCRTR1 (0.40) HCRTR1METHCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 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 (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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HCRTR1 471/4885HTR1A 1258/4885ADRA1A 2300/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HCRTR1 471/4885HTR1A 1258/4885ADRA1A 2300/4885

“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.