SCHEMBL2204018

SCHEMBL2204018

c1ccc2c(C3CC[N]CC3)nsc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
GRM2 Q14416 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
EPAS1 Q99814 5/20 0.38
CYP1A2 P05177 2/20 0.35
GRM4 Q14833 2/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL1545124 0.81 KDM4E (0.49) DRD2DRD3DRD4GRM2KDM4E
Hydrochloric Acid SCHEMBL1838069 0.80 KDM4E (0.51) DRD2DRD3DRD4GRM2KDM4E
SCHEMBL1840347 0.79 DRD2 (0.58) DRD2DRD3DRD4GRM2KDM4E
SCHEMBL10991961 0.79 DRD2 (0.52) DRD2DRD3DRD4GRM2KDM4E
SCHEMBL8467925 0.78 HTR1D (0.42) DRD2DRD3DRD4GRM2MAPT
Bromide SCHEMBL10365464 0.78 DRD2 (0.57) DRD2DRD3DRD4GRM2KDM4E
Hydrochloric Acid SCHEMBL1836699 0.78 DRD2 (0.57) DRD2DRD3DRD4GRM2KDM4E
SCHEMBL2545160 0.76 NPC1 (0.45) DRD2DRD3DRD4GRM2KDM4E
SCHEMBL8207212 0.76 HTR2A (0.41) DRD2DRD3DRD4GRM2KDM4E
SCHEMBL17189646 0.75 LMNA (0.47) DRD2DRD3DRD4GRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
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
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 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 DRD2 2793/4885DRD3 2880/4885DRD4 2038/4885

“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.