SCHEMBL2221155

SCHEMBL2221155

COCCCCc1c(C(=O)N(CC(C)C)[C@H]2C[C@@H](C=O)CN(C(=O)OC(C)(C)C)C2)nnn1-c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.46
KDM1A O60341 1/20 0.32
GPR119 Q8TDV5 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL2221857 0.93 REN (0.45) RENKDM1AGPR119
SCHEMBL2218877 0.93 REN (0.47) RENMEN1KMT2AGRM5GRM1
SCHEMBL13276652 0.91 REN (0.50) RENSLC6A2SLC6A4
SCHEMBL2219419 0.90 REN (0.47) RENKDM1AGPR119GRM5GRM1
SCHEMBL2218698 0.90 REN (0.47) RENKDM1AGPR119GRM5GRM1
SCHEMBL2220705 0.86 REN (0.62) REN
SCHEMBL2219622 0.84 REN (0.47) RENMEN1KMT2AGRM5GRM1
SCHEMBL13276444 0.84 REN (0.48) RENSLC6A2SLC6A4
SCHEMBL2220615 0.83 REN (0.51) REN
SCHEMBL2219024 0.83 REN (0.45) RENGPR119

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 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
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 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 (5 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 1/4885KDM1A 1250/4885GPR119 361/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885KDM1A 2456/4885GPR119 203/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885KDM1A 1250/4885GPR119 361/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885KDM1A 1250/4885GPR119 361/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE REN 1/4885KDM1A 1250/4885GPR119 361/4885

“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.