SCHEMBL14749302

SCHEMBL14749302

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.48
▸ KCNK3 O14649 4/20 0.40
▸ KCNK9 Q9NPC2 4/20 0.40
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CACNB4 O00305 3/20 0.38
▸ CACNA1A O00555 3/20 0.38
▸ CACNA1G O43497 3/20 0.38
▸ CACNG3 O60359 3/20 0.38
▸ CACNA1F O60840 3/20 0.38
▸ CACNA1H O95180 3/20 0.38
▸ CACNB3 P54284 3/20 0.38
▸ CACNA2D1 P54289 3/20 0.38
▸ CACNG7 P62955 3/20 0.38
▸ CACNA1B Q00975 3/20 0.38
▸ CACNA1D Q01668 3/20 0.38
▸ CACNB1 Q02641 3/20 0.38
▸ CACNG1 Q06432 3/20 0.38
▸ CACNB2 Q08289 3/20 0.38
▸ CACNA1S Q13698 3/20 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
SCHEMBL12183915 0.93 PRCP (0.43) PRCPTP53LMNAMAPTSMN1; SMN2
SCHEMBL12184583 0.92 PRCP (0.52) PRCPLMNA
SCHEMBL12184748 0.91 PRCP (0.50) PRCPMAPTSMN1; SMN2POLB
SCHEMBL14737070 0.88 PRCP (0.54) PRCPMAPTSMN1; SMN2POLB
SCHEMBL14749284 0.83 PRCP (0.49) PRCPTP53LMNAMAPTSMN1; SMN2
SCHEMBL14752639 0.83 PRCP (0.52) PRCPMAPTSMN1; SMN2POLB
SCHEMBL14749314 0.83 PRCP (0.58) PRCPLMNA
SCHEMBL12183916 0.83 PRCP (0.58) PRCPLMNA
SCHEMBL2599440 0.81 PRCP (0.55) PRCPLMNACACNB4CACNA1ACACNA1G
SCHEMBL14749421 0.81 PRCP (0.55) PRCPMAPTSMN1; SMN2POLB

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 1/4885KCNK3 4500/4885KCNK9 4030/4885

“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.

Send feedback