SCHEMBL1440185

SCHEMBL1440185

CCOC(=O)C1(CCCl)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
SMYD3 Q9H7B4 1/20 0.43
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRD1 P41143 1/20 0.36
POLB P06746 3/20 0.35
P4HB P07237 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13269452 0.86 OPRM1 (0.49) OPRM1SMYD3KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL26106636 0.85 OPRM1 (0.48) OPRM1SMYD3KMT2AMEN1MAPT
SCHEMBL2025300 0.83 OPRM1 (0.47) OPRM1SMYD3KMT2AMEN1MAPT
SCHEMBL8311121 0.83 CYP4F2 (0.44) OPRM1KMT2AMEN1MAPTATM
SCHEMBL963382 0.82 OPRM1 (0.51) OPRM1SMYD3KMT2AMEN1MAPT
SCHEMBL10285599 0.82 OPRM1 (0.46) OPRM1SMYD3KMT2AMEN1MAPT
SCHEMBL743660 0.82 MAPK1 (0.53) OPRM1SMYD3KMT2AMEN1MAPT
SCHEMBL13268736 0.81 OPRM1 (0.50) OPRM1SMYD3KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1282849 0.81 OPRM1 (0.50) OPRM1SMYD3KMT2AMEN1MAPT
SCHEMBL379071 0.81 OPRM1 (0.44) OPRM1SMYD3KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401316-B1 CHEMICAL PROCESS GLAXO GROUP LTD (GB) 2021-08-04 EP disclosed
CN-107163038-B Chemical process 葛兰素集团有限公司 2020-07-28 CN disclosed
EP-3401316-A1 CHEMICAL PROCESS GLAXO GROUP LIMITED (GB) 2018-11-14 EP disclosed
EP-2885298-B1 CHEMICAL PROCESS GLAXO GROUP LTD (GB) 2018-06-13 EP disclosed
US-9657011-B2 Chemical process GLAXO GROUP LIMITED (GB) 2017-05-23 US disclosed
US-20160159786-A1 CHEMICAL PROCESS GLAXO GROUP LIMITED (GB) 2016-06-09 US disclosed
US-9273001-B2 Chemical process GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-20150232423-A1 CHEMICAL PROCESS GLAXO GROUP LIMITED (GB) 2015-08-20 US disclosed
EP-2885298-A1 CHEMICAL PROCESS Glaxo Group Limited (GB) 2015-06-24 EP disclosed
WO-2014027045-A1 CHEMICAL PROCESS GLAXO GROUP LIMITED (GB) 2014-02-20 WO disclosed
WO-2011029896-A1 METHODS OF PREPARATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-03-17 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-20150232423-A1 CHEMICAL PROCESS UMPS, UCK2, UGP2 OPRM1 2311/4885SMYD3 3940/4885KMT2A 3979/4885
US-20160159786-A1 CHEMICAL PROCESS UMPS, UCK2, UGP2 OPRM1 2311/4885SMYD3 3940/4885KMT2A 3979/4885

“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.