SCHEMBL1238458

SCHEMBL1238458

O=C(O)c1ncccc1OC[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
GRIN2C Q14957 1/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 3/20 0.42
VNN1 O95497 1/20 0.42
CNR2 P34972 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL1238462 1.00 TRPV1 (0.45) TRPV1LMNAHPGDPOLBGRIN2C
SCHEMBL1241642 0.92 TRPV1 (0.44) TRPV1LMNAHPGDPOLBGRIN2C
SCHEMBL1241640 0.92 TRPV1 (0.44) TRPV1LMNAHPGDPOLBGRIN2C
SCHEMBL9101507 0.89 LMNA (0.45) TRPV1LMNAALDH1A1KMT2AHSD11B1
SCHEMBL9101500 0.89 LMNA (0.45) TRPV1LMNAALDH1A1KMT2AHSD11B1
SCHEMBL1241570 0.88 HRH3 (0.46) TRPV1LMNAVNN1KDM4E
SCHEMBL1241568 0.88 HRH3 (0.46) TRPV1LMNAVNN1KDM4E
SCHEMBL9102506 0.87 SCD (0.43) TRPV1LMNAGRIN2CALDH1A1VNN1
SCHEMBL9102502 0.87 SCD (0.43) TRPV1LMNAGRIN2CALDH1A1VNN1
SCHEMBL1241557 0.87 TRPV1 (0.41) TRPV1LMNAALDH1A1VNN1KDM4E

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 5 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
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO 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 TRPV1 13/4885LMNA 1079/4885HPGD 768/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A TRPV1 13/4885LMNA 1079/4885HPGD 768/4885

“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.