SCHEMBL33107

SCHEMBL33107

COCCCCn1c(C(=O)N(CC(C)C)[C@]2(C(C)O)CCCNC2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.63
POLB P06746 1/20 0.37
CNR2 P34972 2/20 0.37
TSPO P30536 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PTBP1 P26599 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 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
Hydrochloric Acid SCHEMBL2217813 0.99 REN (0.62) RENPOLBCNR2TSPOLMNA
Hydrochloric Acid SCHEMBL2219604 0.99 REN (0.62) RENPOLBCNR2TSPOLMNA
Hydrochloric Acid SCHEMBL2223187 0.93 REN (0.60) RENPOLBCNR2TSPOLMNA
Hydrochloric Acid SCHEMBL2220281 0.93 REN (0.60) RENPOLBCNR2TSPOLMNA
SCHEMBL12440795 0.78 REN (1.00) REN
Hydrochloric Acid SCHEMBL1422356 0.77 REN (0.98) REN
SCHEMBL12441105 0.74 REN (0.81) RENCNR2
SCHEMBL7941617 0.74 REN (0.81) RENCNR2
SCHEMBL2220725 0.74 REN (0.81) RENCNR2
SCHEMBL20211382 0.74 REN (0.81) 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
JP-4800445-B2 2011-10-26 JP claimed
JP-2011524853-A 2011-09-08 JP claimed
EP-2297114-A2 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP claimed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 WO claimed
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-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-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-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
EP-2297114-A2 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 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 (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 1/4885POLB 3511/4885CNR2 1765/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885POLB 3030/4885CNR2 1642/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885POLB 3511/4885CNR2 1765/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE REN 1/4885POLB 3511/4885CNR2 1765/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE REN 1/4885POLB 3511/4885CNR2 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.