SCHEMBL12184748

SCHEMBL12184748

COC(=O)N1C[C@@H](c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC[C@@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.50
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ GRM5 P41594 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PSD A5PKW4 1/20 0.36
▸ SLC6A7 Q99884 2/20 0.36
▸ TNF P01375 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL14749284 0.93 PRCP (0.49) PRCPMAPTSMN1; SMN2POLBGRM5
SCHEMBL14749314 0.92 PRCP (0.58) PRCPGRM5ALDH1A1
SCHEMBL12183916 0.92 PRCP (0.58) PRCPGRM5ALDH1A1
SCHEMBL14749302 0.91 PRCP (0.48) PRCPMAPTSMN1; SMN2POLB
SCHEMBL14737070 0.90 PRCP (0.54) PRCPMAPTSMN1; SMN2POLBPTPN1
SCHEMBL14752639 0.87 PRCP (0.52) PRCPMAPTSMN1; SMN2POLBPTPN1
SCHEMBL12183915 0.83 PRCP (0.43) PRCPMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL12184583 0.83 PRCP (0.52) PRCP
SCHEMBL14749421 0.83 PRCP (0.55) PRCPMAPTSMN1; SMN2POLBPTPN1
SCHEMBL14749294 0.82 PRCP (0.47) PRCPMAPTSMN1; SMN2POLBGRM5

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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
WO-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885MAPT 3765/4885SMN1; SMN2 4754/4885

“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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