SCHEMBL6521299

SCHEMBL6521299

Cc1cccc2c1N(C)C(=O)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.37
PGR P06401 6/20 0.37
HTR2B P41595 2/20 0.36
ADRA2A P08913 1/20 0.36
DRD4 P21917 1/20 0.36
HRH2 P25021 1/20 0.36
HTR7 P34969 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 1/20 0.34
SLC6A2 P23975 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL12536262 0.84 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL836635 0.80 PGR (0.36) POLBMEN1KMT2ATP53PGR
SCHEMBL28225949 0.80 PGR (0.36) POLBMEN1KMT2AL3MBTL1TP53
SCHEMBL4805389 0.80 SLC6A2 (0.47) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL25767600 0.80 ALDH1A1 (0.40) POLBALDH1A1MEN1KMT2AHTR2B
SCHEMBL4603103 0.78 MEN1 (0.37) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL26171870 0.78 MAPT (0.49) POLBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7837092 0.77 TP53 (0.43) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL28250861 0.76 PGR (0.46) ALDH1A1MEN1KMT2APGRSLC6A3
SCHEMBL18850723 0.75 PGR (0.39) POLBALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752258-A Nickel is catalyzed Synthesis of Indole ketones derivant 南开大学 2018-11-06 CN disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO 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 (2 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA POLB 2192/4885ALDH1A1 1292/4885MEN1 1086/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA POLB 2192/4885ALDH1A1 1292/4885MEN1 1086/4885

“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.