SCHEMBL6766324

SCHEMBL6766324

CO/N=C(\Cc1cccnc1)CN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PDE4B Q07343 1/20 0.39
NAMPT P43490 2/20 0.39
MAPK1 P28482 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
PORCN Q9H237 1/20 0.37
HCRTR1 O43613 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
SCHEMBL6766329 1.00 TSHR (0.42) TSHRALDH1A1LMNACHRNB2CHRNA4
SCHEMBL6776347 0.86 ALDH1A1 (0.45) TSHRALDH1A1LMNACHRNB2CHRNA4
SCHEMBL6776344 0.86 ALDH1A1 (0.45) TSHRALDH1A1LMNACHRNB2CHRNA4
SCHEMBL6769690 0.86 HTT (0.40) TSHRALDH1A1LMNANAMPTNAPRT
SCHEMBL6770009 0.86 HTT (0.40) TSHRALDH1A1LMNANAMPTNAPRT
SCHEMBL6777804 0.80 ALDH1A1 (0.50) TSHRALDH1A1LMNACHRNB2CHRNA4
SCHEMBL6767434 0.80 ALDH1A1 (0.51) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6767435 0.80 ALDH1A1 (0.51) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7287505 0.74 L3MBTL1 (0.58) TSHRALDH1A1LMNACHRNB2CHRNA4
SCHEMBL6766256 0.73 DRD4 (0.55) TSHRALDH1A1

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 92/4885ALDH1A1 596/4885LMNA 4729/4885

“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.