SCHEMBL425883

SCHEMBL425883

CC1(C)COCN1C(=O)n1cnc(-c2ccc(F)c(O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
ABL1 P00519 1/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 1/20 0.33
HSD17B14 Q9BPX1 4/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL425981 0.92 MIF (0.36) CNR2CNR1HSD17B14KDM4EHSD17B10
SCHEMBL427176 0.87 CACNA1H (0.37) KDM1ACNR2KDM4EALDH1A1
SCHEMBL427535 0.85 CNR2 (0.35) CNR2CNR1DPP4DPP8DPP9
SCHEMBL427656 0.85 DPP4 (0.33) CNR2DPP4DPP8DPP9KDM4E
SCHEMBL427563 0.85 ALDH1A1 (0.40) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL427118 0.84 DPP4 (0.40) CNR2DPP4DPP8DPP9KDM4E
SCHEMBL427043 0.83 FYN (0.39) GAA
SCHEMBL427643 0.83 HSD17B1 (0.37) KDM4EALDH1A1CYP1A2GAAHPGD
SCHEMBL425743 0.82 FAAH (0.43) CNR2DPP4DPP8DPP9KDM4E
SCHEMBL427475 0.81 CNR2 (0.38) CNR2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KDM1A 1476/4885ABL1 2318/4885CNR2 9/4885

“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.