SCHEMBL424622

SCHEMBL424622

CN(C(=O)n1nnc2ccccc21)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TRPV1 Q8NER1 2/20 0.51
GAA P10253 10/20 0.48
MGAM O43451 9/20 0.48
AMY1A P0DUB6 9/20 0.48
SI P14410 9/20 0.48
MGAM2 Q2M2H8 9/20 0.48
F2 P00734 2/20 0.48
HPGD P15428 1/20 0.48
SLC9A1 P19634 1/20 0.48
MGLL Q99685 2/20 0.46
TRPA1 O75762 1/20 0.46
DGAT1 O75907 1/20 0.45
KCNMA1 Q12791 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL424342 0.99 TRPV1 (0.53) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL427899 0.90 KMT2A (0.49) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL427408 0.88 KMT2A (0.48) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL427404 0.83 HCAR3 (0.44) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL424469 0.82 KMT2A (0.43) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL427878 0.82 FAAH (0.60) ALDH1A1HTTMGLLFAAH
SCHEMBL425717 0.82 TRPV1 (0.45) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL427321 0.82 L3MBTL1 (0.47) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL427875 0.82 HCAR3 (0.46) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL425471 0.81 TRPV1 (0.44) ALDH1A1NPSR1TRPV1GAAMGAM

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 6 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-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 KMT2A 2067/4885KDM4E 1982/4885ALDH1A1 294/4885

“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.