SCHEMBL427703

SCHEMBL427703

CC1(C)COCN1C(=O)n1cnc(-c2ccc(OCC3CCNCC3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
CNR2 P34972 3/20 0.43
CHEK2 O96017 1/20 0.40
KDM1A O60341 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
EP300 Q09472 1/20 0.37
MAOB P27338 1/20 0.37
AKT1 P31749 1/20 0.37
CXCR1 P25024 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR3A P46098 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL425975 0.91 ITGB3 (0.49) ITGB3ITGA2BCNR2CHEK2
SCHEMBL424813 0.91 CNR2 (0.41) ITGB3ITGA2BCNR2KDM1AEP300
SCHEMBL427193 0.83 KDM4E (0.43) TDP1MAOBCXCR1
SCHEMBL427620 0.82 KDM4E (0.38) CNR2TDP1
SCHEMBL427535 0.78 CNR2 (0.35) CNR2
SCHEMBL426017 0.78 GAA (0.47) KDM1AMAOB
SCHEMBL424719 0.78 KDM4E (0.44) TDP1KCNH2
SCHEMBL427118 0.77 DPP4 (0.40) CNR2
SCHEMBL425743 0.77 FAAH (0.43) CNR2
SCHEMBL425980 0.76 FAAH (0.54) ITGB3ITGA2BCHEK2KDM1ATDP1

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 ITGB3 4498/4885ITGA2B 4761/4885CNR2 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.