SCHEMBL12185546

SCHEMBL12185546

Fc1ccc(-c2cc(C3CCNCC3)n(-c3ccccn3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 4/20 0.50
▸ PRCP P42785 5/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ MAPK13 O15264 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PLD1 Q13393 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ SLC11A2 P49281 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 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
SCHEMBL14686475 0.87 PRCP (0.56) PLATPRCPMKNK1MKNK2MAPK13
SCHEMBL14686433 0.84 PRCP (0.52) PRCPHRH3
SCHEMBL12185590 0.79 PRCP (0.68) PRCPHRH3HTR1A
SCHEMBL12186038 0.79 PRCP (0.63) PRCP
SCHEMBL12185544 0.77 PRCP (0.47) PLATPRCPMKNK1MKNK2MAPK13
SCHEMBL12185554 0.77 PRCP (0.44) PRCPCACNA1BHRH3
SCHEMBL14686652 0.77 PRCP (0.59) PRCPHTR1ASLC6A4SLC6A3
SCHEMBL12185600 0.77 PRCP (0.70) PRCPHTR1A
SCHEMBL12185513 0.76 PRCP (0.62) PLATPRCPHTR1ASLC6A2SLC6A4
SCHEMBL14701380 0.76 PRCP (0.53) PRCPHRH3

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
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
WO-2011143057-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-17 — — WO 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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PLAT 123/4885PRCP 1/4885MKNK1 1365/4885

“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.

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