SCHEMBL14749335

SCHEMBL14749335

COc1ccccc1CC(=O)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.64
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PDE2A O00408 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ PROKR1 Q8TCW9 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14749355 0.92 PRCP (0.56) PRCPALDH1A1KDM4EPDE2APDE3A
SCHEMBL14686430 0.91 PRCP (0.76) PRCPALDH1A1KDM4EPOLBMAPT
SCHEMBL14749338 0.89 PRCP (0.65) PRCPALDH1A1KDM4EMAPTKMT2A
SCHEMBL12183983 0.87 PRCP (0.64) PRCPALDH1A1KDM4EKMT2A
SCHEMBL12184064 0.87 PRCP (0.83) PRCPALDH1A1KDM4EPROKR1
SCHEMBL14749333 0.85 PRCP (0.59) PRCPALDH1A1KDM4EPDE2AMAPT
SCHEMBL14749316 0.84 PRCP (0.57) PRCPALDH1A1KDM4EPDE2APDE3A
SCHEMBL14749332 0.83 PRCP (0.54) PRCPALDH1A1KDM4EPROKR1POLB
SCHEMBL14749330 0.83 PRCP (0.57) PRCPALDH1A1PROKR1
SCHEMBL14749320 0.83 PRCP (0.58) PRCPALDH1A1KDM4EPDE2APDE3A

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 1 patent. 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

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 1/4885ALDH1A1 661/4885KDM4E 576/4885

“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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