SCHEMBL1422436

SCHEMBL1422436

O=C(O)c1cc2ccccc2n1CCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.74
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 1/20 0.65
POLB P06746 1/20 0.65
MCL1 Q07820 4/20 0.58
DAO P14920 1/20 0.56
TSHR P16473 1/20 0.53
GPR35 Q9HC97 1/20 0.52
PLA2G10 O15496 1/20 0.52
PLA2G4A P47712 1/20 0.50

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
SCHEMBL5669896 0.92 CCR2 (0.68) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL3960926 0.90 CCR2 (0.80) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL28109529 0.88 PLA2G10 (0.64) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL13701158 0.87 CCR2 (0.69) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL27640635 0.86 CCR2 (0.65) CCR2ALDH1A1CYP1A2POLBGPR35
SCHEMBL5378162 0.85 CCR2 (1.00) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL5254835 0.85 CCR2 (0.67) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL7423428 0.85 CCR2 (0.56) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL3960264 0.84 CCR2 (0.61) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL700800 0.84 ALDH1A1 (0.69) CCR2ALDH1A1CYP1A2POLBMCL1

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 14 patents. 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-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
CN-102123990-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2011-07-13 CN 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
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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 (6 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 CCR2 4492/4885ALDH1A1 156/4885CYP1A2 30/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE CCR2 4470/4885ALDH1A1 286/4885CYP1A2 39/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 CCR2 1386/4885ALDH1A1 2808/4885CYP1A2 461/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE CCR2 4492/4885ALDH1A1 156/4885CYP1A2 30/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE CCR2 4492/4885ALDH1A1 156/4885CYP1A2 30/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE CCR2 4492/4885ALDH1A1 156/4885CYP1A2 30/4885

“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.