SCHEMBL9105423

SCHEMBL9105423

NC(=O)c1ncccc1OCC1CCCN1C(=O)Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.42
DPP8 Q6V1X1 8/20 0.42
CYP2D6 P10635 7/20 0.42
DPP9 Q86TI2 7/20 0.42
DPP7 Q9UHL4 7/20 0.42
GPR6 P46095 2/20 0.41
P2RX7 Q99572 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
SCD O00767 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL9105418 1.00 DPP4 (0.42) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL1241536 0.80 OPRD1 (0.52) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL1241540 0.80 OPRD1 (0.52) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL10271868 0.79 CHRNB4 (0.48) CHRNB4CHRNA3HCRTR1HCRTR2CHRNB1
SCHEMBL10221885 0.79 CHRNB4 (0.46) CHRNB4CHRNA3SCDHCRTR1HCRTR2
SCHEMBL9102305 0.78 HCRTR1 (0.43) CHRNB4CHRNA3HCRTR1HCRTR2CHRNB1
SCHEMBL9103418 0.78 HCRTR1 (0.44) DPP4CHRNB4CHRNA3HCRTR1HCRTR2
SCHEMBL9103413 0.78 HCRTR1 (0.44) DPP4CHRNB4CHRNA3HCRTR1HCRTR2
SCHEMBL9281079 0.78 HTR7 (0.43) CHRNB4CHRNA3HCRTR1HCRTR2CHRNB1
SCHEMBL9103980 0.78 HCRTR1 (0.44) HCRTR1HCRTR2

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 DPP4 1260/4885DPP8 1043/4885CYP2D6 3105/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A DPP4 1260/4885DPP8 1043/4885CYP2D6 3105/4885

“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.