SCHEMBL3225150

SCHEMBL3225150

CN1CCN(CCCN(Cc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)nc2)C(=O)Nc2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 2/20 0.40
ROCK2 O75116 3/20 0.40
CASR P41180 1/20 0.39
KDM1A O60341 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
SCHEMBL3234430 0.96 LMNA (0.41) MCHR1TSHRMAPTLMNAROCK2
SCHEMBL3234284 0.95 MCHR1 (0.47) MCHR1TSHRMAPTHSD17B10USP2
SCHEMBL3225737 0.93 MAPT (0.50) TSHRMAPTHSD17B10USP2LMNA
SCHEMBL3231970 0.93 MCHR1 (0.45) MCHR1TSHRMAPTHSD17B10USP2
SCHEMBL3221293 0.93 MEN1 (0.42) MCHR1TSHRMAPTHSD17B10USP2
SCHEMBL3223656 0.92 TSHR (0.44) MCHR1TSHRMAPTHSD17B10USP2
SCHEMBL3225963 0.91 MAPT (0.47) TSHRMAPTHSD17B10USP2LMNA
SCHEMBL3231689 0.90 USP2 (0.44) TSHRMAPTHSD17B10USP2LMNA
SCHEMBL3830942 0.90 KDM1A (0.45) MCHR1TSHRMAPTHSD17B10LMNA
SCHEMBL4224520 0.89 MCHR1 (0.44) MCHR1TSHRMAPTHSD17B10USP2

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 MCHR1 417/4885TSHR 167/4885MAPT 3774/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 MCHR1 3566/4885TSHR 4241/4885MAPT 544/4885

“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.