SCHEMBL424569

SCHEMBL424569

CN(C(=O)n1cnc(-c2ccc(OCCN3CCCCC3)cc2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
KDM4E B2RXH2 1/20 0.49
HRH3 Q9Y5N1 6/20 0.48
KCNH2 Q12809 3/20 0.48
HRH4 Q9H3N8 2/20 0.48
HRH1 P35367 2/20 0.48
HTT P42858 1/20 0.47
AVPR1B P47901 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL424571 0.91 NPC1 (0.55) LTA4HKDM4EHRH3PSMB1PSMB5
SCHEMBL427759 0.90 LTA4H (0.47) LTA4HKDM4E
SCHEMBL426063 0.82 FAAH (0.55) LTA4HKDM4EHRH3AVPR1BPSMB1
SCHEMBL424550 0.82 KDM4E (0.50) LTA4HKDM4EHRH3AVPR1B
SCHEMBL426694 0.80 ACHE (0.49) KDM4EHTT
SCHEMBL427476 0.78 FAAH (0.57) KDM4E
SCHEMBL425371 0.78 FAAH (0.60) KDM4E
SCHEMBL427723 0.76 FAAH (0.52) KDM4EHRH3
SCHEMBL426698 0.76 FAAH (0.52) KDM4E
SCHEMBL424186 0.76 FAAH (0.52) LTA4HKDM4EAVPR1B

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 LTA4H 7/4885KDM4E 1982/4885HRH3 95/4885

“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.