SCHEMBL425981

SCHEMBL425981

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B14 Q9BPX1 2/20 0.32
HSD17B1 P14061 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
SCHEMBL425883 0.92 KDM1A (0.33) CNR2CNR1KDM4EHSD17B10HSD17B14
SCHEMBL427656 0.87 DPP4 (0.33) CNR2KDM4ELMNAHSD17B10
SCHEMBL427563 0.87 ALDH1A1 (0.40) CNR2KDM4ELMNA
SCHEMBL427535 0.85 CNR2 (0.35) CNR2CNR1KDM4EHSD17B10
SCHEMBL427043 0.85 FYN (0.39) MIF
SCHEMBL427176 0.85 CACNA1H (0.37) CNR2KDM4ELMNA
SCHEMBL427643 0.83 HSD17B1 (0.37) KDM4EHSD17B10HSD17B1
SCHEMBL427118 0.82 DPP4 (0.40) CNR2KDM4ELMNAHSD17B10
SCHEMBL425743 0.82 FAAH (0.43) CNR2KDM4EHSD17B10
SCHEMBL427475 0.81 CNR2 (0.38) MIFCNR2KDM4EHSD17B10

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 4 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

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 MIF 2786/4885ESR1 3460/4885ESR2 3486/4885

“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.