SCHEMBL4669315

SCHEMBL4669315

CN(C[C]=O)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
▸ RIPK1 Q13546 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ OPRK1 P41145 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 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
▸ NAPRT Q6XQN6 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42

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) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL7737898 0.83 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL31044635 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL6674571 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL30093157 0.80 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL6826606 0.79 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL2584302 0.78 PYCR1 (0.66) KDM4EALDH1A1LMNAUSP2CYP3A4
SCHEMBL8348697 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL21278464 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL6132943 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7RIPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365755-B1 USE OF PYRIMIDINE NUCLEOSIDES AND/OR THE PRODRUGS THEREOF FOR COMBATING THE SIDE-EFFECTS OF HAART (HIGHLY ACTIVE ANTI-RETROVIRAL THERAPY) AND OTHER ANTI-VIRAL THERAPIES PHARMA NORD APS (DK) 2008-10-22 — — EP disclosed
US-6992072-B2 Combating side-effects PHARMA NORD APS (DK) 2006-01-31 — — US disclosed
US-20040138157-A1 Combating side-effects PHARMA NORD APS (DK) 2004-07-15 — — US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 — — EP disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 — — US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 — — EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 — — WO disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 — — 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-20040138157-A1 Combating side-effects POLRMT, TK2, POLM CHRNB2 4689/4885CHRNA4 4782/4885CHRNA7 4539/4885

“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.

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