SCHEMBL2993766

SCHEMBL2993766

CN(C)CCCNC(=O)c1ccc(N)cn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.48
MAOB P27338 1/20 0.48
HIF1A Q16665 1/20 0.47
MALT1 Q9UDY8 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2992355 0.93 MAOB (0.49) ALOX15POLBMAOBHIF1AMALT1
SCHEMBL2995950 0.84 MAOB (0.49) ALOX15MAOBHIF1AKDM4EALDH1A1
SCHEMBL2996781 0.84 MAOB (0.59) MAOBHIF1AMALT1
SCHEMBL30074599 0.83 ALOX15 (0.56) ALOX15POLBNPC1RAB9AHPGD
SCHEMBL21531020 0.83 KDM4E (0.58) ALOX15POLBNPC1RAB9AHPGD
SCHEMBL21531021 0.83 ALOX15 (0.56) ALOX15POLBNPC1RAB9AHPGD
SCHEMBL30074560 0.83 ALOX15 (0.56) ALOX15POLBNPC1RAB9AHPGD
SCHEMBL30074583 0.83 ALOX15 (0.56) ALOX15POLBNPC1RAB9AHPGD
SCHEMBL1674346 0.82 ALDH1A1 (0.63) POLBRAB9AHPGDMAOBHIF1A
SCHEMBL3000781 0.81 MAOB (0.51) NPC1RAB9AMAOBHIF1AMALT1

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 ALOX15 3350/4885POLB 3173/4885NPC1 4214/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 ALOX15 3350/4885POLB 3173/4885NPC1 4214/4885

“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.