SCHEMBL6985292

SCHEMBL6985292

CCCC1=CC(=O)CC(c2cccnc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
CHRNA7 P36544 5/20 0.41
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2A6 P11509 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2D6 P10635 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6986386 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA7CYP2C19ALDH1A1
SCHEMBL156842 0.73 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CYP2C19ALDH1A1
SCHEMBL7596879 0.70 APOBEC3A (0.38) CYP2C19ALDH1A1CYP1A2CYP3A4HTT
SCHEMBL1100609 0.67 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7CYP2C19ALDH1A1
SCHEMBL6976410 0.67 TP53 (0.44) ALDH1A1CYP3A4HTTMAPTNPSR1
SCHEMBL13413565 0.67 HTT (0.47) CHRNB2CHRNA4CHRNA7CYP2C19ALDH1A1
SCHEMBL11621077 0.66 CYP11B2 (0.47) CHRNB2CHRNA4CHRNA7ALDH1A1CYP3A4
SCHEMBL10242198 0.64 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2C19ALDH1A1
SCHEMBL23717179 0.64 CYP3A4 (0.43) CHRNB2CHRNA4CHRNA7CYP2C19ALDH1A1
SCHEMBL15744014 0.64 KDM4E (0.50) CHRNB2CHRNA4CHRNA7ALDH1A1CYP3A4

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
EP-1050530-B1 1-Aza-2-alkyl-6-aryl-cycloalkanes usefull as memory enhancers SERVIER LAB (FR) 2003-10-22 EP disclosed
US-6451789-B1 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS LES LABORTOIRES SERVIER (FR) 2002-09-17 US disclosed
US-20020042413-A1 1-aza-2-alkyl-6-aryl-cycloalkanes RAULT SYLVAIN (FR) 2002-04-11 US disclosed
US-6323222-B1 COGNITION ACTIVATORS, ALZHEIMER*S DISEASE AND ENZYME INHIBITORS ADIR ET COMPAGNIE (FR) 2001-11-27 US 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-20020042413-A1 1-aza-2-alkyl-6-aryl-cycloalkanes SULT2A1, GRIN2A, NR3C1 CHRNB2 344/4885CHRNA4 85/4885CHRNA7 150/4885

“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.