SCHEMBL14686768

SCHEMBL14686768

Clc1ccc(-c2cc(C3CCN(CCN4CCOCC4)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.57
▸ CACNA1B Q00975 5/20 0.54
▸ SIGMAR1 Q99720 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGS2 P35354 3/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ MALT1 Q9UDY8 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL12185551 0.87 PRCP (0.73) PRCPCACNA1BSIGMAR1MEN1KMT2A
SCHEMBL12185527 0.87 PRCP (0.70) PRCPCACNA1BMEN1KMT2AMGLL
SCHEMBL14686526 0.84 PRCP (0.61) PRCPMEN1MAPTKMT2AL3MBTL1
SCHEMBL14686673 0.83 PRCP (0.65) PRCPCACNA1BMEN1KMT2AMGLL
SCHEMBL14686570 0.83 PRCP (0.62) PRCPCACNA1BMGLLL3MBTL1DRD2
SCHEMBL31465869 0.80 SIGMAR1 (0.52) SIGMAR1DRD2
SCHEMBL31465843 0.80 SIGMAR1 (0.47) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL12186018 0.79 CACNA1B (0.49) PRCPCACNA1BMEN1KMT2AMGLL
SCHEMBL12185526 0.79 PRCP (0.49) PRCPCACNA1BMEN1KMT2AMGLL
SCHEMBL2598511 0.78 L3MBTL1 (0.51) PRCPCACNA1BMEN1KMT2APTGS2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — 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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885CACNA1B 4761/4885SIGMAR1 4784/4885

“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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