SCHEMBL4444010

SCHEMBL4444010

COC(=O)[C@H]1CCCC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM3 P20309 1/20 0.47
PEPD P12955 1/20 0.45
ACE P12821 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2983236 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3PEPDACE
SCHEMBL2983239 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3PEPDACE
SCHEMBL596154 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3PEPDACE
SCHEMBL596152 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3PEPDACE
SCHEMBL596153 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3PEPDACE
SCHEMBL17816439 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM3PEPDACE
Ammonia Solution, Strong SCHEMBL1639042 0.98 CHRM2 (0.46) CHRM2CHRM4CHRM3PEPDACE
SCHEMBL15590800 0.95 SLC6A2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL30850208 0.95 SLC6A2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL2952999 0.95 SLC6A2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882740-A1 IAP ANTAGONISTS Bristol-Myers Squibb Company (US) 2015-06-17 EP disclosed
US-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-06-11 US disclosed
WO-2014025759-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-13 WO disclosed
EP-2134716-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-23 EP disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 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 (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-20150158021-A1 PROCESS FOR THE IMMOBILIZATION OF CATALYSTS ON TEXTILE MATERIALS, THE OBTAINED TEXTILE MATERIALS AND THE USE OF SAID MATERIALS LIG4, DDT, MCM4 CHRM2 1113/4885CHRM4 115/4885CHRM3 1572/4885

“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.