SCHEMBL6750833

SCHEMBL6750833

O=C1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)N1CCC1CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.47
LTA4H P09960 7/20 0.47
GRM2 Q14416 1/20 0.43
MMP13 P45452 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
S1PR5 Q9H228 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CHRM4 P08173 1/20 0.40
APP P05067 1/20 0.40
PRMT5 O14744 1/20 0.40

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
SCHEMBL5669916 0.91 KCNH2 (0.41) NPY1RLTA4H
SCHEMBL5672388 0.83 LTA4H (0.43) LTA4H
SCHEMBL5670000 0.83 LTA4H (0.49) NPY1RLTA4HMMP13
SCHEMBL6750841 0.79 FAAH (0.39) NPY1RLTA4H
SCHEMBL6750836 0.79 HRH3 (0.58) NPY1RLTA4HNPC1RAB9AHRH3
SCHEMBL6750837 0.77 GRM2 (0.45) LTA4HGRM2MMP13NPC1RAB9A
SCHEMBL5672025 0.76 LTA4H (0.47) LTA4HMMP13
SCHEMBL7327575 0.74 LTA4H (0.60) NPY1RLTA4HSMN1; SMN2HTR2CHTR2B
Hydrochloric Acid SCHEMBL7355535 0.73 LTA4H (0.59) LTA4HSMN1; SMN2HTR2CHTR2BPRMT5
SCHEMBL7324858 0.72 LTA4H (0.80) LTA4H

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
CN-1671387-A Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO CELTIQUE SA (LU) 2005-09-21 CN claimed
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-05-20 US claimed
CN-1671387-A Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO CELTIQUE SA (LU) 2005-09-21 CN disclosed
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-05-20 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-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers SCN1A, CACNA1S, SCN1B NPY1R 1069/4885LTA4H 588/4885GRM2 816/4885

“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.