SCHEMBL12440979

SCHEMBL12440979

COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(O)COC)C2)nc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.79
CNR2 P34972 1/20 0.39

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
SCHEMBL12441103 1.00 REN (0.79) RENCNR2
SCHEMBL20211383 1.00 REN (0.79) RENCNR2
SCHEMBL12441102 1.00 REN (0.79) RENCNR2
SCHEMBL13311698 1.00 REN (0.79) RENCNR2
Hydrochloric Acid SCHEMBL2220458 0.99 REN (0.78) RENCNR2
Hydrochloric Acid SCHEMBL2217562 0.99 REN (0.78) RENCNR2
Hydrochloric Acid SCHEMBL2217509 0.99 REN (0.78) RENCNR2
SCHEMBL20220713 0.94 REN (0.78) RENCNR2
SCHEMBL7949424 0.94 REN (0.78) RENCNR2
SCHEMBL12441107 0.94 REN (0.78) RENCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297114-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-06 EP disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 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 (4 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885CNR2 1765/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885CNR2 1642/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885CNR2 1765/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885CNR2 1765/4885

“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.