SCHEMBL14736554

SCHEMBL14736554

O=C(NCc1ccc(Cl)cc1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.51
▸ KIT P10721 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 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
SCHEMBL14749414 0.93 PRCP (0.51) PRCPPOLBMAPTEPHX2GPBAR1
SCHEMBL14749412 0.90 PRCP (0.50) PRCPMAPTALDH1A1TSHRCYP2D6
SCHEMBL14749388 0.89 PRCP (0.54) PRCPMAPTEPHX2ALDH1A1
SCHEMBL12184132 0.88 PRCP (0.51) PRCPKITEPHX2GPBAR1ALDH1A1
SCHEMBL14749394 0.87 PRCP (0.56) PRCPLMNAMAPTEPHX2ALDH1A1
SCHEMBL14749383 0.86 PRCP (0.49) PRCPEPHX2
SCHEMBL14749396 0.85 PRCP (0.51) PRCPEPHX2ALDH1A1
SCHEMBL14749283 0.85 PRCP (0.49) PRCPKITPOLBMAPTEPHX2
SCHEMBL14749384 0.83 PRCP (0.51) PRCPPOLBGPBAR1ALDH1A1
SCHEMBL14736875 0.82 PRCP (0.59) PRCPPOLB

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
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 1/4885KIT 3970/4885POLB 3298/4885

“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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