SCHEMBL9099059

SCHEMBL9099059

O=C(Nc1ccncn1)c1ncccc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
PRKCQ Q04759 4/20 0.35
FLT3 P36888 3/20 0.35
GSK3B P49841 3/20 0.35
PRKCA P17252 3/20 0.35
GPR6 P46095 1/20 0.34
ATR Q13535 1/20 0.34
HTR2B P41595 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL9099063 1.00 HCRTR1 (0.36) HCRTR1CHRM4CHRNB4CHRNA3CHRNB1
SCHEMBL1238365 0.91 HCRTR1 (0.38) HCRTR1CHRM4CHRNB4CHRNA3CHRNB1
SCHEMBL1238362 0.91 HCRTR1 (0.38) HCRTR1CHRM4CHRNB4CHRNA3CHRNB1
SCHEMBL1238368 0.91 HCRTR1 (0.38) HCRTR1CHRM4CHRNB4CHRNA3CHRNB1
SCHEMBL1241485 0.90 HCRTR1 (0.39) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241482 0.90 HCRTR1 (0.39) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241487 0.90 HCRTR1 (0.39) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241272 0.87 ELANE (0.40) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241270 0.87 ELANE (0.40) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1241274 0.87 ELANE (0.40) HCRTR1CHRNB4CHRNA3CHRNB1CHRNB2

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 471/4885CHRM4 3324/4885CHRNB4 383/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HCRTR1 471/4885CHRM4 3324/4885CHRNB4 383/4885

“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.