SCHEMBL6770818

SCHEMBL6770818

CN1CCC=C(/C(CN2CCCC2=O)=N\O)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
TSHR P16473 1/20 0.40
PMP22 Q01453 1/20 0.40
BLM P54132 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HTT P42858 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
SCHEMBL6770820 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6766318 0.89 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6766319 0.89 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6770482 0.86 CHRM2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6770486 0.86 CHRM2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6770392 0.79 LMNA (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6770391 0.79 LMNA (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6777308 0.78 CHRM2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6777311 0.78 CHRM2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6771065 0.78 TSHR (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-6716857-B2 1-(3-HYDROCARBYLOXYIMINO-3-(1-ALKYL-1,2,5,6-TETRAHYDROPYRID-3-YL) -ALKYLPYRROLIDIN-2-ONE DERIVATIVES; RECEPTIVITY; ANALGESICS, GLAUCOMA, PSYCHOSIS, SCHIZOPHRENIA, ANXIOLYTIC AGENTS, BIPOLAR DISORDERS; ANTIDEPRESSANTS; SLEEP DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US claimed
US-20030119880-A1 Tetrahydropyridine derivatives acting on muscarinic acetylcholine receptors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-26 US claimed
US-6716857-B2 1-(3-HYDROCARBYLOXYIMINO-3-(1-ALKYL-1,2,5,6-TETRAHYDROPYRID-3-YL) -ALKYLPYRROLIDIN-2-ONE DERIVATIVES; RECEPTIVITY; ANALGESICS, GLAUCOMA, PSYCHOSIS, SCHIZOPHRENIA, ANXIOLYTIC AGENTS, BIPOLAR DISORDERS; ANTIDEPRESSANTS; SLEEP DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US disclosed
US-20030119880-A1 Tetrahydropyridine derivatives acting on muscarinic acetylcholine receptors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-26 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-20030119880-A1 Tetrahydropyridine derivatives acting on muscarinic acetylcholine receptors CHRM1, CHRM3, CHRM2 CHRNB2 20/4885CHRNA4 9/4885CHRM2 3/4885

“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.