SCHEMBL462379

SCHEMBL462379

Clc1ccc(-c2ncn(-c3nc(N4CCN(C5CCCCC5)CC4)n[nH]3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 6/20 0.39
CHIA Q9BZP6 4/20 0.39
CYP11B2 P19099 1/20 0.39
ACHE P22303 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
CCR4 P51679 1/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL460470 0.75 CETP (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL427456 0.68 SCN5A (0.51) ACHEALDH1A1KCNH2MEN1MAPK1
SCHEMBL4237823 0.64 ACHE (0.40) ACHECNR1CNR2ALDH1A1HRH4
SCHEMBL2780491 0.64 KMT2A (0.65) CNR1CNR2ALDH1A1MEN1MAPK1
SCHEMBL22848099 0.64 KMT2A (0.65) CNR1CNR2ALDH1A1MEN1MAPK1
SCHEMBL2780493 0.64 KMT2A (0.65) CNR1CNR2ALDH1A1MEN1MAPK1
SCHEMBL14544933 0.63 CKS1B (0.49) CYP11B2CNR1KDM2B
SCHEMBL16217074 0.63 KMT2A (0.67) ALDH1A1MEN1MAPK1KMT2A
SCHEMBL3967998 0.60 MAPT (0.51) CYP11B2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL6595130 0.60 HRH3 (0.43) CYP11B2ACHEALDH1A1GAACCR4

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 2 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-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 CHIT1 1012/4885CHIA 608/4885CYP11B2 1054/4885

“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.