SCHEMBL640797

SCHEMBL640797

CN1CCC=C(C(=N)NO)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
BLM P54132 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL15824729 0.78 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18049064 0.78 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL336164 0.71 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9568926 0.71 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5203140 0.71 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15600774 0.70 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
Arecoline SCHEMBL44065 0.70 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2197726 0.69 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL11584066 0.69 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL10920212 0.69 BLM (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CHRM2 3164/4885CHRM4 4234/4885CHRM5 3765/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CHRM2 3164/4885CHRM4 4234/4885CHRM5 3765/4885

“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.