SCHEMBL6770707

SCHEMBL6770707

O=C1CCCN1CCC(=NOCc1ccccc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TYRO3 Q06418 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
ACHE P22303 1/20 0.38
CHRM2 P08172 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4C Q9H3R0 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
SCHEMBL6770706 1.00 ALDH1A1 (0.50) ALDH1A1TSHRKMT2ALMNATDP1
SCHEMBL6770252 0.90 ALDH1A1 (0.47) ALDH1A1TSHRKMT2ALMNATDP1
SCHEMBL6770251 0.90 ALDH1A1 (0.47) ALDH1A1TSHRKMT2ALMNATDP1
SCHEMBL6766256 0.84 DRD4 (0.55) ALDH1A1TSHRKMT2ADRD4DRD2
SCHEMBL6766251 0.84 DRD4 (0.55) ALDH1A1TSHRKMT2ADRD4DRD2
SCHEMBL6770410 0.82 ALDH1A1 (0.58) ALDH1A1TSHRKMT2ADRD4DRD2
SCHEMBL6770413 0.82 ALDH1A1 (0.58) ALDH1A1TSHRKMT2ADRD4DRD2
SCHEMBL6770009 0.78 HTT (0.40) ALDH1A1TSHRLMNATYRO3L3MBTL1
SCHEMBL6769690 0.78 HTT (0.40) ALDH1A1TSHRLMNATYRO3L3MBTL1
SCHEMBL6766603 0.76 ALDH1A1 (0.65) ALDH1A1TSHRKMT2APOLBKDM4E

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 92/4885KMT2A 1386/4885

“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.