SCHEMBL13536718

SCHEMBL13536718

FCc1cccnc1N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
HTR2C P28335 4/20 0.49
PLD1 Q13393 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1A P08908 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
NMT1 P30419 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
SCHEMBL20244957 0.85 CYP1A2 (0.45) EPHX2ALDH1A1
SCHEMBL2417746 0.84 EPHX2 (0.55) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL325039 0.84 EPHX2 (0.55) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL8660094 0.84 EPHX2 (0.55) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL28071070 0.83 EPHX2 (0.62) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL29432739 0.82 EPHX2 (0.50) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL30886997 0.80 EPHX2 (0.51) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL9807140 0.80 EPHX2 (0.51) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL29432654 0.80 EPHX2 (0.51) EPHX2HTR2CPLD1KDM4EALDH1A1
SCHEMBL2458557 0.80 EPHX2 (0.51) EPHX2HTR2CPLD1KDM4EALDH1A1

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
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 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-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 EPHX2 1378/4885HTR2C 260/4885PLD1 699/4885

“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.