SCHEMBL6770413

SCHEMBL6770413

O=C1CCCN1CCC(=NO)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
POLB P06746 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
DRD4 P21917 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.38
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PORCN Q9H237 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL6770410 1.00 ALDH1A1 (0.58) ALDH1A1TSHRPOLBKDM4CAAK1
SCHEMBL6770492 0.88 ALDH1A1 (0.55) ALDH1A1TSHRPOLBHTTSMN1; SMN2
SCHEMBL6770494 0.88 ALDH1A1 (0.55) ALDH1A1TSHRPOLBHTTSMN1; SMN2
SCHEMBL6766251 0.86 DRD4 (0.55) ALDH1A1TSHRPOLBDRD4MEN1
SCHEMBL6766256 0.86 DRD4 (0.55) ALDH1A1TSHRPOLBDRD4MEN1
SCHEMBL6766603 0.84 ALDH1A1 (0.65) ALDH1A1TSHRPOLBKDM4CAAK1
SCHEMBL6770706 0.82 ALDH1A1 (0.50) ALDH1A1TSHRPOLBKDM4CDRD4
SCHEMBL6770707 0.82 ALDH1A1 (0.50) ALDH1A1TSHRPOLBKDM4CDRD4
SCHEMBL6767434 0.76 ALDH1A1 (0.51) ALDH1A1TSHRPOLBDRD4MEN1
SCHEMBL6767435 0.76 ALDH1A1 (0.51) ALDH1A1TSHRPOLBDRD4MEN1

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 ALDH1A1 596/4885TSHR 92/4885POLB 3878/4885

“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.