SCHEMBL4970366

SCHEMBL4970366

CCOC(=O)N1CCC(Oc2cc3c(=O)[nH]cnc3cc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
PDE4B Q07343 2/20 0.47
MAPK1 P28482 1/20 0.45
EGFR P00533 11/20 0.44
ERBB2 P04626 4/20 0.44
BRD4 O60885 2/20 0.43
XBP1 P17861 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK7 Q13164 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
SCHEMBL14489751 0.93 XBP1 (0.50) USP2HTTPDE4BBRD4XBP1
SCHEMBL14489747 0.91 EGFR (0.48) PDE4BEGFRERBB2PDE4APDE4C
SCHEMBL14489760 0.91 ERBB2 (0.46) USP2HTTPDE4BMAPK1EGFR
SCHEMBL14489753 0.88 XBP1 (0.43) PDE4BEGFRERBB2BRD4XBP1
SCHEMBL14489794 0.88 MAPT (0.48) PDE4BEGFRERBB2
SCHEMBL14489786 0.86 EGFR (0.47) EGFRERBB2
SCHEMBL14489750 0.84 EGFR (0.47) EGFRERBB2MAPK7
SCHEMBL21612785 0.84 XBP1 (0.40) EGFRERBB2XBP1MAPK7
SCHEMBL21612803 0.84 PDE4D (0.47) PDE4BBRD4XBP1PDE4APDE4C
SCHEMBL14489781 0.83 PIK3CD (0.44) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966189-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 USP2 4251/4885HTT 1399/4885PDE4B 1064/4885

“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.