SCHEMBL4229336

SCHEMBL4229336

CN1CCN(CCN(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)C(=O)Nc2nccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
CASR P41180 1/20 0.44
HRH1 P35367 1/20 0.41
KCNA5 P22460 7/20 0.38
ADORA2A P29274 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
DRD2 P14416 1/20 0.36
FAAH O00519 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
SCHEMBL4233290 0.96 METAP1 (0.45) METAP1CASRHRH1KCNA5ADORA2A
SCHEMBL4224152 0.89 CASR (0.48) METAP1CASRALDH1A1TSHR
SCHEMBL4234580 0.89 CASR (0.48) METAP1CASRALDH1A1TSHR
SCHEMBL4234966 0.89 METAP1 (0.44) METAP1CASRHRH1ADORA2AALDH1A1
SCHEMBL12250165 0.89 METAP1 (0.37) METAP1KDM1ARCOR1ABL1SRC
SCHEMBL4233232 0.88 METAP1 (0.50) METAP1ADORA2AALDH1A1
SCHEMBL4229406 0.87 CASR (0.47) CASRHRH1KCNA5ALDH1A1TSHR
SCHEMBL3234225 0.87 DRD2 (0.42) ALDH1A1TSHRABL1SRCDRD2
SCHEMBL3233734 0.86 MCHR1 (0.39) KDM1ARCOR1ABL1SRCDRD2
SCHEMBL4227691 0.86 METAP1 (0.49) METAP1ADORA2A

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 METAP1 982/4885CASR 4152/4885HRH1 1173/4885

“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.