SCHEMBL1240549

SCHEMBL1240549

O=C(NCc1ccccc1)c1ncccc1OCC1CCCN1C(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.43
HRH3 Q9Y5N1 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
PREP P48147 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1240546 1.00 SCD (0.43) SCDHRH3DGAT2ALDH1A1CHRNB1
SCHEMBL1240548 1.00 SCD (0.43) SCDHRH3DGAT2ALDH1A1CHRNB1
SCHEMBL1238455 0.91 SCD (0.42) SCDALDH1A1KMT2AMEN1MAPK1
SCHEMBL1238454 0.91 SCD (0.42) SCDALDH1A1KMT2AMEN1MAPK1
SCHEMBL1238450 0.91 SCD (0.42) SCDALDH1A1KMT2AMEN1MAPK1
SCHEMBL1241272 0.88 ELANE (0.40) SCDCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1241270 0.88 ELANE (0.40) SCDCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1238366 0.88 SCD (0.43) SCDCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1238360 0.88 SCD (0.43) SCDCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1238363 0.88 SCD (0.43) SCDCHRNB1CHRNB2CHRNB4CHRNA3

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-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US claimed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US claimed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO claimed
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 SCD 1954/4885HRH3 2517/4885DGAT2 3062/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SCD 1954/4885HRH3 2517/4885DGAT2 3062/4885

“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.