SCHEMBL424504

SCHEMBL424504

CC1(C)COCN1C(=O)n1cnc(-c2ccc(F)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
GRM2 Q14416 2/20 0.35
GRM5 P41594 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PDE4B Q07343 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPK14 Q16539 1/20 0.32
HASPIN Q8TF76 1/20 0.32
KMO O15229 2/20 0.32
DHODH Q02127 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
SCHEMBL427872 0.78 ALDH1A1 (0.36) CNR2CNR1HDAC6HDAC1
SCHEMBL427532 0.77 HDAC6 (0.49) CNR1HDAC6
SCHEMBL425854 0.74 KMT2A (0.40) CNR2
SCHEMBL427034 0.74 HDAC1 (0.38) CNR2HDAC6HDAC1
SCHEMBL425446 0.68 GPBAR1 (0.38) GRM5KDM4AKDM5AKDM4CKDM5B
SCHEMBL460255 0.68 LRRK2 (0.32)
SCHEMBL425555 0.68 FAAH (0.43)
SCHEMBL427660 0.65 CNR2 (0.35) CNR2CNR1GRM5
SCHEMBL425883 0.64 KDM1A (0.33) CNR2CNR1GRM5DPP4
SCHEMBL9894481 0.62 DHODH (0.37) KDM4AKDM5AKDM4CKDM5BHDAC6

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 CNR2 9/4885CNR1 15/4885GRM2 2047/4885

“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.