SCHEMBL3227792

SCHEMBL3227792

CCN(CC)CCCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 5/20 0.36
NSD2 O96028 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
SCHEMBL3231996 0.94 MAPT (0.39) CHRM2CHRM4HTR1ACHRM5ADRA2A
SCHEMBL3234590 0.93 HSD17B10 (0.41) KDM4EHSD17B10NSD2POLBKCNQ4
SCHEMBL3219418 0.92 HDAC1 (0.42) TMEM97SIGMAR1KDM4EHSD17B10KCNQ4
SCHEMBL3223180 0.91 HDAC1 (0.38) TMEM97SIGMAR1KDM4EHSD17B10NSD2
SCHEMBL3230283 0.90 KDM4E (0.41) TMEM97SIGMAR1KDM4EHDAC1LMNA
SCHEMBL4229510 0.90 HDAC1 (0.37) TMEM97SIGMAR1KDM4EHSD17B10NSD2
SCHEMBL3226208 0.89 MAPT (0.40) HSD17B10KCNQ4KCNQ5HDAC1SCD
SCHEMBL3227141 0.87 KDM4E (0.37) KDM4EHSD17B10HDAC1ALDH1A1HPGD
SCHEMBL3222593 0.87 HDAC1 (0.40) HSD17B10KCNQ4KCNQ5HDAC1SCD
SCHEMBL4222682 0.86 SMN1; SMN2 (0.36) TMEM97SIGMAR1KDM4EHSD17B10NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012972-B2 Pyridinecarboxylic acid (2-aminophenyl) amide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 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
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 (2 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-20100063045-A1 NOVEL PYRIDINECARBOXYLIC ACID (2-AMINOPHENYL) AMIDE DERIVATIVE HAVING UREA STRUCTURE HCAR1, CBR1, UACA CHRM2 242/4885CHRM4 577/4885HTR1A 2090/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 CHRM2 3652/4885CHRM4 3876/4885HTR1A 3053/4885

“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.