SCHEMBL6769690

SCHEMBL6769690

O=C1CCCN1CC(Cc1cccnc1)=NOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYRO3 Q06418 1/20 0.38
NAMPT P43490 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DHPS P49366 1/20 0.36

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
SCHEMBL6770009 1.00 HTT (0.40) HTTALDH1A1TSHRLMNANAPRT
SCHEMBL6766324 0.86 TSHR (0.42) HTTALDH1A1TSHRLMNANAPRT
SCHEMBL6766329 0.86 TSHR (0.42) HTTALDH1A1TSHRLMNANAPRT
SCHEMBL6776347 0.83 ALDH1A1 (0.45) HTTALDH1A1TSHRLMNANAPRT
SCHEMBL6776344 0.83 ALDH1A1 (0.45) HTTALDH1A1TSHRLMNANAPRT
SCHEMBL6770252 0.83 ALDH1A1 (0.47) HTTALDH1A1TSHRLMNAL3MBTL1
SCHEMBL6770251 0.83 ALDH1A1 (0.47) HTTALDH1A1TSHRLMNAL3MBTL1
SCHEMBL6770706 0.78 ALDH1A1 (0.50) ALDH1A1TSHRLMNAL3MBTL1TYRO3
SCHEMBL6770707 0.78 ALDH1A1 (0.50) ALDH1A1TSHRLMNAL3MBTL1TYRO3
SCHEMBL6777804 0.77 ALDH1A1 (0.50) HTTALDH1A1TSHRLMNANAPRT

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 HTT 3679/4885ALDH1A1 596/4885TSHR 92/4885

“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.