SCHEMBL13038367

SCHEMBL13038367

CN1CCN(Cc2cc(C=O)ccc2-c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.45
HTR7 P34969 5/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HRH2 P25021 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CHKA P35790 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRNA7 P36544 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.42
TNIK Q9UKE5 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 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
SCHEMBL7184871 0.88 TRPV1 (0.48) HTR7
SCHEMBL13681861 0.86 TRPV1 (0.50) HTR7
SCHEMBL13038406 0.85 CYP3A4 (0.53) HTR7DRD2DRD4HRH2DRD3
SCHEMBL13038057 0.85 ACHE (0.48) HTR7DRD2DRD4DRD3HRH3
SCHEMBL13681875 0.81 POLB (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL13038486 0.81 ALDH1A1 (0.48) HTR7DRD4DRD3HRH3KDM4E
SCHEMBL13038068 0.80 ACHE (0.40) HTR7DRD2DRD4DRD3HRH3
SCHEMBL13681892 0.80 TRPV1 (0.36) HTR7RXFP1
SCHEMBL13681864 0.80 DRD2 (0.49) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL13681865 0.80 MAOA (0.40) HTR7RXFP1

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 MC4R 572/4885HTR7 293/4885DRD2 444/4885

“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.