SCHEMBL2199900

SCHEMBL2199900

c1ccc(CN2C[C@H]3C[C@@H]2C[N]3)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
SIGMAR1 Q99720 5/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 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
SCHEMBL5730240 1.00 MAPT (0.43) MAPTSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL2263964 1.00 MAPT (0.43) MAPTSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL3121382 1.00 MAPT (0.43) MAPTSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL2265216 0.87 SIGMAR1 (0.46) SIGMAR1
SCHEMBL2203762 0.85 KDM4E (0.36) SIGMAR1
SCHEMBL2267660 0.85 SIGMAR1 (0.44) MAPTSIGMAR1
SCHEMBL2204679 0.75 SMN1; SMN2 (0.43) SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL11775261 0.72 SIGMAR1 (0.63) SIGMAR1
SCHEMBL5743634 0.70 MAPT (0.58) MAPTSIGMAR1
SCHEMBL9868061 0.69 SIGMAR1 (0.73) SIGMAR1

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 3 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

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 MAPT 1028/4885SIGMAR1 2850/4885CHRM2 4721/4885

“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.