SCHEMBL1695474

SCHEMBL1695474

O=C1CC[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.38
KDM1A O60341 8/20 0.37
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
KDM1B Q8NB78 1/20 0.37
RORC P51449 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.34

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
SCHEMBL15194685 1.00 CYP2C9 (0.41) CYP2C9CYP2C19MCL1LMNAKDM1A
SCHEMBL15194679 0.88 CYP2C9 (0.41) CYP2C9CYP2C19MCL1LMNAKDM1A
SCHEMBL2507229 0.85 MEN1 (0.48) MCL1LMNAHRH3FFAR1MEN1
SCHEMBL2507227 0.85 MEN1 (0.48) MCL1LMNAHRH3FFAR1MEN1
SCHEMBL1695729 0.85 MEN1 (0.48) MCL1LMNAHRH3FFAR1MEN1
SCHEMBL1695410 0.84 TDP1 (0.43) MCL1KDM1AHRH3FFAR1MEN1
SCHEMBL3115335 0.84 GAA (0.40) CYP2C9CYP2C19MCL1
SCHEMBL3115343 0.84 GAA (0.40) CYP2C9CYP2C19MCL1
SCHEMBL3115351 0.84 GAA (0.40) CYP2C9CYP2C19MCL1
SCHEMBL12151967 0.82 SLC6A4 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571855-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2014-12-24 EP disclosed
US-8669252-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 US disclosed
US-8669252-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 US disclosed
US-8669252-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 US disclosed
US-20130217660-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130217660-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-20130217660-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
EP-2571855-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed
WO-2011146300-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130217660-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP CYP2C9 1027/4885CYP2C19 992/4885MCL1 4390/4885

“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.