SCHEMBL13038486

SCHEMBL13038486

O=Cc1ccc(-c2ccccc2)c(CN2CCN(C3CCCCC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 4/20 0.48
TSHR P16473 4/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
TP53 P04637 1/20 0.46
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR7 P34969 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
RGS12 O14924 1/20 0.39

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
SCHEMBL13681861 0.85 TRPV1 (0.50) HTR7TRPV1
SCHEMBL7184871 0.84 TRPV1 (0.48) HTR7TRPV1
SCHEMBL12991960 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRMAPTALOX12
SCHEMBL15509398 0.81 HTR7 (0.58) ALDH1A1KDM4ETSHRMAPTALOX12
SCHEMBL13038057 0.81 ACHE (0.48) ALDH1A1KDM4EDRD4DRD3MEN1
SCHEMBL13038079 0.81 MEN1 (0.40) ALDH1A1KDM4EDRD4DRD3MEN1
SCHEMBL13038367 0.81 MC4R (0.45) ALDH1A1KDM4EDRD4DRD3ADORA1
SCHEMBL13038406 0.79 CYP3A4 (0.53) ALDH1A1KDM4EMAPTDRD4DRD3
SCHEMBL13037443 0.78 LTA4H (0.39) ALDH1A1DRD4DRD3HTR7TRPV1
SCHEMBL13037429 0.77 KDM4E (0.47) ALDH1A1KDM4EDRD4DRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 ALDH1A1 1223/4885KDM4E 1484/4885TSHR 4364/4885

“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.