SCHEMBL1241236

SCHEMBL1241236

CCOC(=O)c1ncccc1OCC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
IRAK4 Q9NWZ3 5/20 0.43
CHRM3 P20309 3/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
Hydrochloric Acid SCHEMBL1698877 0.82 IRAK4 (0.50) IRAK4CHRM3CHRNB2CHRNA4CHRM2
Hydrochloric Acid SCHEMBL7518074 0.78 CHRNB2 (0.59) CHRM3CHRNB2CHRNA4CHRM2CHRM1
SCHEMBL31471103 0.77 BRD4 (0.60) BRD4
Hydrochloric Acid SCHEMBL1241547 0.76 BRD4 (0.43) BRD4CHRNB2CHRNA4
SCHEMBL7158103 0.75 TSHR (0.50) CHRM3CHRNB2CHRNA4CHRM2CHRM1
SCHEMBL12327315 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL7267932 0.73 BRD4 (0.56) BRD4
SCHEMBL1240609 0.73 ALOX5AP (0.47) CHRM2MAPT
SCHEMBL27492257 0.73 BRD4 (0.58) BRD4MAPT
SCHEMBL16661155 0.73 DGAT1 (0.46) IRAK4SLC6A2SLC6A4SLC6A3MAPT

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 BRD4 2273/4885IRAK4 4849/4885CHRM3 2122/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A BRD4 2273/4885IRAK4 4849/4885CHRM3 2122/4885

“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.