SCHEMBL18232492

SCHEMBL18232492

CC(C)CNCc1cc(F)c(CN)cc1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.37
▸ CA2 P00918 10/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ MAP4K4 O95819 1/20 0.32

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
SCHEMBL18232514 0.83 DPP4 (0.35) DPP4BACE1KCNH2BACE2
SCHEMBL18232490 0.80 CA2 (0.39) CA2OPRM1OPRK1MAP4K4
SCHEMBL18235892 0.79 BACE1 (0.42) DPP4CA2BACE1BACE2
SCHEMBL18235895 0.76 MAOA (0.36) DPP4CA2BACE1KCNH2BACE2
SCHEMBL21799844 0.74 CA2 (0.44) DPP4CA2OPRM1OPRK1
SCHEMBL10203575 0.74 MEN1 (0.36) CA2
SCHEMBL19102996 0.74 SMN1; SMN2 (0.41) BACE1BACE2
SCHEMBL13527770 0.73 LOXL2 (0.42) DPP4
SCHEMBL765514 0.72 ALDH1A1 (0.35) CA2BACE1KCNH2OPRM1OPRK1
SCHEMBL172639 0.70 MPO (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 — — US disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 — — US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 — — 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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC DPP4 2444/4885CA2 4318/4885BACE1 4238/4885

“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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