SCHEMBL2599117

SCHEMBL2599117

Clc1ccc(-c2cc(C3CCNCC3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PTPN1 P18031 1/20 0.46
▸ GRM5 P41594 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ PTGS1 P23219 3/20 0.42
▸ PTGS2 P35354 3/20 0.42
▸ PLAT P00750 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GFER P55789 1/20 0.42

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
SCHEMBL14703650 0.85 PRCP (0.43) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12185513 0.84 PRCP (0.62) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL2598511 0.81 L3MBTL1 (0.51) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12185603 0.81 PRCP (0.60) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14686526 0.78 PRCP (0.61) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14686651 0.78 PRCP (0.76) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14688393 0.78 PRCP (0.65) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12185619 0.78 PRCP (0.79) PRCPMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL16827910 0.77 POLB (0.48) PRCPMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16845859 0.77 SMYD3 (0.49) SMN1; SMN2RAB9ANPC1MAPTGAA

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 PRCP 1/4885MEN1 3238/4885KMT2A 2172/4885

“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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