SCHEMBL2199708

SCHEMBL2199708

N#Cc1ccccc1C1CNCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
ADRA1A P35348 2/20 0.36
HTR2A P28223 2/20 0.34
KDM1A O60341 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
RIPK1 Q13546 1/20 0.32
HCRTR2 O43614 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL3917788 0.78 LRRK2 (0.35) HTR2CHTR2BHTR2ANISCH
SCHEMBL1254662 0.76 TAAR1 (0.41) HTR2CHTR2BHTR2ATSHRSLC6A2
SCHEMBL3549378 0.76 KDM1A (0.42) HTR2CHTR2BHTR2AKDM1ANISCH
SCHEMBL10682669 0.76 CHRNB2 (0.37) HTR2CHTR2BHTR2ATSHRDRD2
SCHEMBL2204913 0.76 HTR2C (0.47) HTR2CHTR2BHTR2AKDM1ANISCH
SCHEMBL1254418 0.73 KDM1A (0.45) ADRA1AHTR2AKDM1ANISCHTSHR
SCHEMBL4053963 0.72 HTR2C (0.43) HTR2CHTR2BADRA1AHTR2ADRD2
SCHEMBL1255269 0.72 HTR2C (0.51) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL1254378 0.72 HTR2C (0.51) HTR2CHTR2BADRA1AHTR2ADRD2
SCHEMBL2859123 0.71 HTR2C (0.43) HTR2CHTR2BADRA1AHTR2AKDM1A

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 HTR2C 1689/4885HTR2B 1383/4885ADRA1A 4131/4885

“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.