SCHEMBL14686594

SCHEMBL14686594

O=C(C(F)F)N1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.60
▸ SLC6A7 Q99884 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ F11 P03951 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ SPR P35270 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14686708 0.87 PRCP (0.65) PRCPSLC6A7HSD11B1CNR1KDM4E
SCHEMBL2599440 0.81 PRCP (0.55) PRCPCNR1KDM4EMAPT
SCHEMBL12186022 0.77 PRCP (0.68) PRCP
SCHEMBL12185983 0.77 PRCP (0.85) PRCP
SCHEMBL12185513 0.77 PRCP (0.62) PRCPKDM4ESMN1; SMN2
SCHEMBL12185581 0.75 PRCP (1.00) PRCPKDM4ETLR9TLR8TLR7
SCHEMBL12185577 0.74 PRCP (0.86) PRCPMAPTSMN1; SMN2
SCHEMBL12185580 0.73 PRCP (1.00) PRCP
SCHEMBL17826599 0.72 PRCP (0.80) PRCPCNR1
SCHEMBL14737070 0.72 PRCP (0.54) PRCPSLC6A7HSD11B1KDM4EMAPT

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 1/4885SLC6A7 518/4885HSD11B1 656/4885

“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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