SCHEMBL4234580

SCHEMBL4234580

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCCN2CCOCC2)C(=O)Nc2nccs2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.48
USP2 O75604 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
METAP1 P53582 1/20 0.43
TSHR P16473 3/20 0.42
TRPV4 Q9HBA0 1/20 0.42
ALDH1A1 P00352 2/20 0.39
ROCK2 O75116 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4224152 0.98 CASR (0.48) CASRUSP2OPRM1OPRD1METAP1
SCHEMBL4233290 0.92 METAP1 (0.45) CASRUSP2OPRM1OPRD1METAP1
SCHEMBL2477396 0.90 CASR (0.49) CASRUSP2OPRM1OPRD1METAP1
SCHEMBL12250167 0.90 USP2 (0.43) CASRUSP2OPRM1OPRD1TSHR
SCHEMBL4234966 0.89 METAP1 (0.44) CASRUSP2OPRM1OPRD1METAP1
SCHEMBL4229336 0.89 METAP1 (0.46) CASRMETAP1TSHRALDH1A1
SCHEMBL12249981 0.89 USP2 (0.51) CASRUSP2OPRM1OPRD1TSHR
SCHEMBL3230147 0.88 USP2 (0.47) USP2OPRM1OPRD1TSHRALDH1A1
SCHEMBL4233202 0.87 CASR (0.51) CASRUSP2OPRM1OPRD1TSHR
SCHEMBL3230741 0.87 USP2 (0.55) CASRUSP2OPRM1OPRD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 CASR 4152/4885USP2 3063/4885OPRM1 4710/4885

“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.