SCHEMBL12185564

SCHEMBL12185564

Clc1ccc(-c2cc(C3CCN(C4CCC(c5ccccc5)CC4)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.47
▸ CACNA1B Q00975 6/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SLC18A3 Q16572 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ GRIN2B Q13224 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ KCNJ6 P48051 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KHK P50053 1/20 0.40
▸ TRPV6 Q9H1D0 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
SCHEMBL14688393 0.84 PRCP (0.65) PRCPL3MBTL1CYP2D6CYP2C19SLC18A3
SCHEMBL12186018 0.79 CACNA1B (0.49) PRCPCACNA1BL3MBTL1MGLLKMT2A
SCHEMBL2598511 0.78 L3MBTL1 (0.51) PRCPCACNA1BL3MBTL1MGLLKMT2A
SCHEMBL28330785 0.77 NPC1 (0.56) CACNA1BMGLLKCNJ6KCNJ5KCNJ3
SCHEMBL12185527 0.77 PRCP (0.70) PRCPCACNA1BL3MBTL1CYP2D6MGLL
SCHEMBL14686768 0.77 PRCP (0.57) PRCPCACNA1BL3MBTL1MGLLKMT2A
SCHEMBL12185551 0.77 PRCP (0.73) PRCPCACNA1BL3MBTL1CYP2D6MGLL
SCHEMBL14686570 0.73 PRCP (0.62) PRCPCACNA1BL3MBTL1CYP2D6CYP2C19
SCHEMBL14686673 0.73 PRCP (0.65) PRCPCACNA1BCYP2D6MGLLKMT2A
SCHEMBL7302753 0.70 SLC18A3 (0.58) L3MBTL1CYP2D6CYP2C19SLC18A3GRIN2B

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 9 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
WO-2011143057-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-17 — — WO 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 4761/4885L3MBTL1 2928/4885

“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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