SCHEMBL425975

SCHEMBL425975

CC1(C)COCN1C(=O)n1cnc(-c2ccc(OCCC3CCNCC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 10/20 0.49
CHEK2 O96017 3/20 0.42
DHODH Q02127 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR2 P34972 2/20 0.36
P2RY14 Q15391 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL427703 0.91 ITGB3 (0.44) ITGB3ITGA2BCHEK2CNR2
SCHEMBL427193 0.85 KDM4E (0.43)
SCHEMBL424813 0.82 CNR2 (0.41) ITGB3ITGA2BCNR2
SCHEMBL426017 0.80 GAA (0.47)
SCHEMBL424719 0.80 KDM4E (0.44)
SCHEMBL427620 0.80 KDM4E (0.38) CNR2
SCHEMBL427535 0.77 CNR2 (0.35) CNR2
SCHEMBL7898091 0.77 ITGB3 (0.42) ITGB3ITGA2BCHEK2DHODHADORA3
SCHEMBL426082 0.76 KDM4E (0.45) ADORA2AADORA1
SCHEMBL427118 0.76 DPP4 (0.40) CNR2

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 ITGB3 4498/4885ITGA2B 4761/4885CHEK2 4825/4885

“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.