SCHEMBL14749350

SCHEMBL14749350

O=C1CCCN1CC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.53
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GRM5 P41594 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ GFER P55789 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
SCHEMBL14749343 0.86 PRCP (0.56) PRCPALDH1A1GRM5
SCHEMBL14749342 0.84 PRCP (0.53) PRCPGAARAB9AALDH1A1KMT2A
SCHEMBL14749321 0.84 PRCP (0.55) PRCPRAB9AALDH1A1KMT2AMEN1
SCHEMBL14749328 0.84 PRCP (0.61) PRCPALDH1A1GRM5
SCHEMBL14736875 0.83 PRCP (0.59) PRCPKMT2AMEN1GRM5POLB
SCHEMBL14749330 0.83 PRCP (0.57) PRCPALDH1A1GRM5GFER
SCHEMBL14749364 0.83 PRCP (0.55) PRCPALDH1A1POLB
SCHEMBL14749336 0.83 PRCP (0.55) PRCPALDH1A1POLB
SCHEMBL14749326 0.82 PRCP (0.55) PRCPALDH1A1GRM5GFER
SCHEMBL14749329 0.82 PRCP (0.59) PRCPALDH1A1KMT2AMEN1GFER

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 2 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

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 1/4885GAA 561/4885RAB9A 2222/4885

“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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