SCHEMBL6767434

SCHEMBL6767434

CO/N=C(/CN1CCCC1=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.51
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.39
POLB P06746 3/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PORCN Q9H237 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL6767435 1.00 ALDH1A1 (0.51) ALDH1A1TSHRDRD4DRD2SMN1; SMN2
SCHEMBL6766256 0.89 DRD4 (0.55) ALDH1A1TSHRDRD4DRD2POLB
SCHEMBL6766251 0.89 DRD4 (0.55) ALDH1A1TSHRDRD4DRD2POLB
SCHEMBL6770494 0.85 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2HTTPOLB
SCHEMBL6770492 0.85 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2HTTPOLB
SCHEMBL6770251 0.84 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2HTTPOLB
SCHEMBL6770252 0.84 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2HTTPOLB
SCHEMBL6766324 0.80 TSHR (0.42) ALDH1A1TSHRSMN1; SMN2HTTLMNA
SCHEMBL6766329 0.80 TSHR (0.42) ALDH1A1TSHRSMN1; SMN2HTTLMNA
SCHEMBL6771215 0.79 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2HTTPOLB

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 92/4885DRD4 142/4885

“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.