SCHEMBL427193

SCHEMBL427193

CC1(C)COCN1C(=O)n1cnc(-c2ccc(OCCN3CCNCC3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
ACHE P22303 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
CXCR1 P25024 1/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL424719 0.92 KDM4E (0.44) KDM4EALDH1A1TDP1PRKAB2PRKAG1
SCHEMBL426017 0.92 GAA (0.47) KDM4EALDH1A1ACHEGAASMN1; SMN2
SCHEMBL426082 0.91 KDM4E (0.45) KDM4EALDH1A1MAPTTDP1ACHE
SCHEMBL425975 0.85 ITGB3 (0.49)
SCHEMBL427703 0.83 ITGB3 (0.44) TDP1CXCR1MAOB
SCHEMBL428071 0.82 BACE1 (0.47) KDM4EALDH1A1ACHEGAASMN1; SMN2
SCHEMBL426083 0.82 KDM4E (0.47) KDM4EALDH1A1ACHE
SCHEMBL427620 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL427535 0.78 CNR2 (0.35) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL427118 0.77 DPP4 (0.40) KDM4EALDH1A1GAASMN1; SMN2

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 1982/4885ALDH1A1 294/4885MAPT 1705/4885

“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.