SCHEMBL2604302

SCHEMBL2604302

CC(C)(C)OC(=O)N1CCC(n2cc[nH]c2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
HCAR1 Q9BXC0 1/20 0.49
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46
GPR119 Q8TDV5 5/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
BACE1 P56817 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
SCHEMBL21811121 0.92 KDM4E (0.45) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL28640716 0.82 HCAR1 (0.58) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL17506464 0.78 HCAR1 (0.53) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL14334645 0.77 GPR119 (0.59) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL3243719 0.77 HCAR1 (0.48) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL3248282 0.76 HCAR1 (0.49) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL3243873 0.75 HCAR1 (0.48) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL30087102 0.75 HCAR1 (0.51) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL13968 0.75 HCAR1 (0.51) MAPTKDM4ETHRBHCAR1PRKCG
SCHEMBL16669935 0.75 GPR119 (0.49) MAPTKDM4ETHRBHCAR1PRKCG

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-101090902-B Cgrp receptor antagonists MERCK SHARP & DOHME 2013-05-29 CN disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US disclosed
US-7834000-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 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 (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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR MAPT 2525/4885KDM4E 4442/4885THRB 561/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR MAPT 2525/4885KDM4E 4442/4885THRB 561/4885

“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.