SCHEMBL2201160

SCHEMBL2201160

Cc1ccc(CCC2CC[N]CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
MAOA P21397 1/20 0.39
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL3119884 0.81 MAOB (0.53) MAOBTAAR1
SCHEMBL240002 0.81 MAOA (0.50) MAOBMAOACARM1PRMT6
SCHEMBL16191644 0.81 MAOB (0.55) MAOBCYP1A2CYP2A6TAAR1HRH3
SCHEMBL8643290 0.81 OPRM1 (0.40)
SCHEMBL7861336 0.79 MAOB (0.54) MAOBCYP1A2CYP2A6TAAR1HRH3
SCHEMBL7861334 0.79 MAOB (0.54) MAOBCYP1A2CYP2A6TAAR1HRH3
SCHEMBL1366084 0.79 LOXL2 (0.42) CYP1A2HRH3
SCHEMBL16191373 0.79 MAOB (0.54) MAOBCYP1A2CYP2A6TAAR1HRH3
SCHEMBL4244293 0.78 MAOB (0.53) MAOBCYP1A2CYP2A6TAAR1HRH3
SCHEMBL20412509 0.78 MAOB (0.53) MAOBCYP1A2CYP2A6TAAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 MAOB 700/4885CYP1A2 2270/4885CYP2A6 1791/4885

“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.