SCHEMBL6770494

SCHEMBL6770494

O=C1CCCN1CC(=NO)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
APP P05067 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PORCN Q9H237 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 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
SCHEMBL6770492 1.00 ALDH1A1 (0.55) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6770410 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6770413 0.88 ALDH1A1 (0.58) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6767435 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6767434 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6771215 0.83 ALDH1A1 (0.61) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6770022 0.82 ALDH1A1 (0.57) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6770252 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6770251 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHTTPOLBHSD17B10
SCHEMBL6776347 0.78 ALDH1A1 (0.45) ALDH1A1TSHRHTTL3MBTL1CYP11B1

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 92/4885HTT 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.