SCHEMBL3278315

SCHEMBL3278315

CCc1ccc(CC(N)C(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc1CC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
NPY5R Q15761 9/20 0.46
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
NPY2R P49146 2/20 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
SCHEMBL3278306 1.00 GAA (0.50) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL3278311 1.00 GAA (0.50) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL31106918 0.80 GAA (0.51) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL14338232 0.74 GAA (0.64) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL14197120 0.74 GAA (0.64) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL14368075 0.74 GAA (0.64) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL14338233 0.74 GAA (0.64) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL3310407 0.73 GAA (0.43) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL3310414 0.73 GAA (0.43) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL3310411 0.73 GAA (0.43) GAANPY5RAOC3KDM4EALDH1A1

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
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (3 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA GAA 4211/4885NPY5R 44/4885AOC3 1028/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA GAA 4211/4885NPY5R 44/4885AOC3 1028/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA GAA 4270/4885NPY5R 43/4885AOC3 1546/4885

“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.