Sugi Predict

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SCHEMBL1241270

SCHEMBL1241270

O=C(Nc1ccccc1)c1ncccc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ SCD O00767 1/20 0.39
▸ ATR Q13535 1/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 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
▸ DGAT1 O75907 3/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ABHD6 Q9BV23 1/20 0.36
▸ DAGLA Q9Y4D2 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
SCHEMBL1241272 1.00 ELANE (0.40) ELANESCDATRCHRNB4CHRNA3
SCHEMBL1241274 1.00 ELANE (0.40) ELANESCDATRCHRNB4CHRNA3
SCHEMBL1238368 0.91 HCRTR1 (0.38) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238365 0.91 HCRTR1 (0.38) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1238362 0.91 HCRTR1 (0.38) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1240534 0.89 CHRNB4 (0.40) ELANECHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240280 0.89 CHRNB4 (0.40) ELANECHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240285 0.89 CHRNB4 (0.40) ELANECHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240289 0.89 CHRNB4 (0.40) ELANECHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL1240537 0.89 CHRNB4 (0.40) ELANECHRNB4CHRNA3CHRNB1CHRNB2

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 ELANE 2707/4885SCD 1954/4885ATR 4807/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A ELANE 2707/4885SCD 1954/4885ATR 4807/4885

“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.