SCHEMBL6583746

SCHEMBL6583746

CN(Cc1cccnc1)C1CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.78
ALDH1A1 P00352 2/20 0.78
CHRNB2 P17787 3/20 0.62
CHRNA4 P43681 3/20 0.62
OPRK1 P41145 1/20 0.58
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRNA7 P36544 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
LMNA P02545 1/20 0.47
RIPK1 Q13546 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL13744576 0.94 ALDH1A1 (0.70) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL17297978 0.94 ALDH1A1 (0.70) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL17297788 0.94 ALDH1A1 (0.70) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL20749660 0.92 KDM4E (0.68) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL19194519 0.92 KDM4E (0.68) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL3130725 0.92 KDM4E (0.72) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL19194546 0.90 KDM4E (0.65) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL19102404 0.90 KDM4E (0.65) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL17481967 0.90 ALDH1A1 (0.65) KDM4EALDH1A1CHRNB2CHRNA4OPRK1
SCHEMBL17297795 0.90 ALDH1A1 (0.65) KDM4EALDH1A1CHRNB2CHRNA4OPRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-0871615-B1 SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS MERCK & CO INC (US) 2004-07-14 EP disclosed
US-6194581-B1 FOR TREATMENT OF DYSFUNCTION OF THE CENTRAL OR AUTONOMIC NERVOUS SYSTEMS INCLUDING DEMENTIA, COGNITIVE DISORDERS, NEURODEGENERATIVE DISORDERS, EXTRAPYRAMIDAL DISORDERS, CONVULSIVE DISORDERS, CARDIOVASCULAR DISORDERS, PAIN MERCK & CO., INC. 2001-02-27 US disclosed
US-5852041-A Substituted pyridines useful as modulators of acethylcholine receptors SIBIA NEUROSCIENCES, INC. (US) 1998-12-22 US disclosed
EP-0871615-A1 SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1998-10-21 EP disclosed
US-5736560-A USEFUL IN THE TREATMENT OF ALZHEIMER'S AND PARKINSONS'S DISEASES SIBIA NEUROSCIENCES, INC. (US) 1998-04-07 US disclosed
US-5686473-A TREATING PARKINSON*S DISEASE, ALZHEIMER*S DISEASE, DEMENTIA AND PAIN SIBIA NEUROSCIENCES, INC. (US) 1997-11-11 US disclosed
US-5585388-A Substituted pyridines useful as modulators of acetylcholine receptors SIBIA NEUROSCIENCES, INC. (US) 1996-12-17 US disclosed
WO-1996031475-A2 SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1996-10-10 WO 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 KDM4E 1253/4885ALDH1A1 2070/4885CHRNB2 1925/4885

“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.