SCHEMBL3223205

SCHEMBL3223205

CCN(CC)CCCC(NC(=O)Nc1ccc(F)c(F)c1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.39
SIGMAR1 Q99720 12/20 0.39
P2RX3 P56373 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL4234564 0.96 UTS2R (0.40) TMEM97SIGMAR1P2RX3UTS2RS1PR3
SCHEMBL3230263 0.95 MCHR1 (0.41) TMEM97SIGMAR1P2RX3HRH3CHRM2
SCHEMBL3234270 0.94 TMEM97 (0.38) TMEM97SIGMAR1P2RX3HRH3CHRM2
SCHEMBL3234623 0.92 TMEM97 (0.39) TMEM97SIGMAR1HRH3CHRM2CHRM4
SCHEMBL3232026 0.91 TMEM97 (0.39) TMEM97SIGMAR1HRH3CHRM2CHRM4
SCHEMBL3227819 0.91 TMEM97 (0.41) TMEM97SIGMAR1HRH3CHRM2CHRM4
SCHEMBL3219213 0.91 SMN1; SMN2 (0.38) TMEM97SIGMAR1P2RX3HRH3CHRM2
SCHEMBL2383746 0.88 HDAC1 (0.47) TMEM97SIGMAR1HRH3CHRM2CHRM4
SCHEMBL3227174 0.88 UTS2R (0.41) TMEM97SIGMAR1UTS2R
SCHEMBL3227966 0.87 UTS2R (0.42) P2RX3UTS2RS1PR3HDAC1

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
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 TMEM97 3579/4885SIGMAR1 4153/4885P2RX3 4220/4885

“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.