SCHEMBL4997411

SCHEMBL4997411

COc1cccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
DRD2 P14416 1/20 0.44
DHFR P00374 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
C1S P09871 1/20 0.43
ADRB1 P08588 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAD52 P43351 1/20 0.41
ACHE P22303 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL4997603 0.86 NPC1 (0.59) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL4992338 0.85 NPC1 (0.61) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL4991995 0.84 MEN1 (0.43) ALDH1A1MAPTDHFRGFERADRB1
SCHEMBL4996840 0.84 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL5000653 0.83 NPC1 (0.56) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL4993132 0.82 MAPT (0.55) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL4997668 0.82 NPC1 (0.58) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL4991471 0.82 CYP1A2 (0.57) ALDH1A1NPC1MAPTRAB9ADRD2
SCHEMBL5003393 0.82 KDM4E (0.53) ALDH1A1MAPTDHFRKDM4EHSD17B10
SCHEMBL4996313 0.80 NPC1 (0.53) ALDH1A1NPC1MAPTRAB9ADRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 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 (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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C ALDH1A1 1034/4885NPC1 2008/4885MAPT 5/4885

“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.