SCHEMBL7104357

SCHEMBL7104357

CNC(C)C/C=C/c1cncc(-c2ccc(OC)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
CYP11B1 P15538 11/20 0.44
CYP11B2 P19099 11/20 0.44
MAP4K4 O95819 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS2 P35354 1/20 0.39
ROCK2 O75116 1/20 0.38
PRKACA P17612 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
NTRK3 Q16288 1/20 0.38
PKN2 Q16513 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL7618391 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL7684179 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL7098950 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL7100863 0.85 CHRNB2 (0.56) CHRNB2CHRNA4CYP11B1CYP11B2CYP2C9
SCHEMBL7104039 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CYP11B1CYP11B2PTGS2
SCHEMBL620297 0.84 CHRNB2 (0.78) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL621495 0.84 CHRNB2 (0.78) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL620296 0.84 CHRNB2 (0.78) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL617913 0.84 CHRNB2 (0.78) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4
SCHEMBL621496 0.84 CHRNB2 (0.78) CHRNB2CHRNA4CYP11B1CYP11B2MAP4K4

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-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 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 (1 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-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E CHRNB2 227/4885CHRNA4 145/4885CYP11B1 238/4885

“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.