SCHEMBL2598511

SCHEMBL2598511

Clc1ccc(-c2cc(C3CCNCC3)nn2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CACNA1B Q00975 7/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ PRCP P42785 1/20 0.46
▸ KCNJ6 P48051 1/20 0.46
▸ KCNJ5 P48544 1/20 0.46
▸ KCNJ3 P48549 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RPA1 P27694 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ PPP1CA P62136 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
SCHEMBL3093919 0.84 KCNJ6 (0.50) CACNA1BMEN1KMT2AKCNJ6KCNJ5
SCHEMBL12185963 0.82 KCNJ6 (0.42) CACNA1BKMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL12186018 0.81 CACNA1B (0.49) L3MBTL1CACNA1BMEN1KMT2AMALT1
SCHEMBL2599117 0.81 PRCP (0.56) L3MBTL1MEN1KMT2APRCPSMN1; SMN2
SCHEMBL28330785 0.81 NPC1 (0.56) CACNA1BKCNJ6KCNJ5KCNJ3MGLL
SCHEMBL14686768 0.78 PRCP (0.57) L3MBTL1CACNA1BMEN1KMT2AMALT1
SCHEMBL12185527 0.78 PRCP (0.70) L3MBTL1CACNA1BMEN1KMT2APRCP
SCHEMBL12185564 0.78 PRCP (0.47) L3MBTL1CACNA1BMEN1KMT2AMALT1
SCHEMBL12185551 0.78 PRCP (0.73) L3MBTL1CACNA1BMEN1KMT2APRCP
SCHEMBL31466203 0.78 CACNA1B (0.44) CACNA1BPRCPNPC1RAB9AKDM4E

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 11 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
EP-2568812-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-20 — — EP 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
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 L3MBTL1 2928/4885CACNA1B 4761/4885MEN1 3238/4885

“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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