SCHEMBL7737898

SCHEMBL7737898

[C]#CCN(C)Cc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.67
▸ CHRNA4 P43681 3/20 0.67
▸ CHRNA7 P36544 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.45
▸ RIPK1 Q13546 1/20 0.44
▸ OPRK1 P41145 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PYCR1 P32322 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2A6 P11509 1/20 0.41

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
SCHEMBL10028665 0.84 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL4669315 0.83 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL31044635 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL30093157 0.80 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL6674571 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL14661612 0.78 PYCR1 (0.66) ALDH1A1KDM4ELMNAUSP2CYP3A4
SCHEMBL8348697 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL6132943 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL21278464 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL27693405 0.77 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E

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-6452008-B2 3-UREA COMPOUND FROM THE 3-AMIDO COMPOUND WITHOUT AZIDATION PROCESS WHICH HAS RISK OF EXPLOSION; REACTION WITH HYPOCHLORITE, HYPOBROMITE OR LEAD TETRAACETATE AND THEN AN AMINE; ACAT INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-17 — — US disclosed
US-20010051732-A1 Pyridone derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2001-12-13 — — US disclosed
US-6300500-B1 Preparation of pyridone derivatives using phthalimido containing starting material SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-10-09 — — US disclosed
EP-1086948-A1 PYRIDONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-28 — — EP 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-20010051732-A1 Pyridone derivatives and process for preparing the same HK1, HPD, ALK CHRNB2 2665/4885CHRNA4 3014/4885CHRNA7 3353/4885

“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.

Send feedback