SCHEMBL424719

SCHEMBL424719

CC1(C)COCN1C(=O)n1cnc(-c2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
PSMB2 P49721 2/20 0.44
HRH3 Q9Y5N1 5/20 0.43
TSHR P16473 1/20 0.42
AVPR1B P47901 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
NTRK1 P04629 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL426017 0.94 GAA (0.47) KDM4EHRH3ALDH1A1
SCHEMBL427193 0.92 KDM4E (0.43) KDM4EHRH3ALDH1A1TDP1PRKAB2
SCHEMBL428071 0.90 BACE1 (0.47) KDM4EHRH3TSHRAVPR1BALDH1A1
SCHEMBL426083 0.85 KDM4E (0.47) KDM4ETSHRALDH1A1
SCHEMBL427620 0.83 KDM4E (0.38) KDM4EALDH1A1TDP1
SCHEMBL426082 0.83 KDM4E (0.45) KDM4EHRH3TSHRAVPR1BALDH1A1
SCHEMBL425975 0.80 ITGB3 (0.49)
SCHEMBL427535 0.80 CNR2 (0.35) KDM4ETSHRALDH1A1
SCHEMBL427118 0.79 DPP4 (0.40) KDM4ETSHRALDH1A1
SCHEMBL425743 0.79 FAAH (0.43) KDM4ETSHRALDH1A1

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 KDM4E 1982/4885PSMB1 2776/4885PSMB5 1472/4885

“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.