SCHEMBL6771065

SCHEMBL6771065

CN1CCC=C(CC(CN2CCCC2=O)=NO)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
CHRM1 P11229 2/20 0.34
PIK3CD O00329 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
THPO P40225 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6771063 1.00 TSHR (0.38) TSHRKMT2AHTTCHRM1PIK3CD
SCHEMBL6769960 0.87 TSHR (0.36) TSHRKMT2AHTTCHRM1LMNA
SCHEMBL6769965 0.87 TSHR (0.36) TSHRKMT2AHTTCHRM1LMNA
SCHEMBL6767025 0.80 LMNA (0.39) TSHRKMT2AHTTLMNASMN1; SMN2
SCHEMBL6767022 0.80 LMNA (0.39) TSHRKMT2AHTTLMNASMN1; SMN2
SCHEMBL6770818 0.78 CHRNB2 (0.43) TSHRHTTCHRM1CHRNB2CHRNA4
SCHEMBL6770820 0.78 CHRNB2 (0.43) TSHRHTTCHRM1CHRNB2CHRNA4
SCHEMBL6766318 0.72 CHRNB2 (0.43) KMT2ACHRM1CHRNB2CHRNA4LMNA
SCHEMBL6766319 0.72 CHRNB2 (0.43) KMT2ACHRM1CHRNB2CHRNA4LMNA
SCHEMBL9876400 0.70 CHRM2 (0.37) CHRM1CHRNB2CHRNA4LMNACHRM2

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 TSHR 92/4885KMT2A 1386/4885HTT 3679/4885

“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.