SCHEMBL1944478

SCHEMBL1944478

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 2/20 0.59
CCR2 P41597 7/20 0.59
KCNH2 Q12809 7/20 0.59
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 4/20 0.57
CCR5 P51681 1/20 0.55
TP53 P04637 2/20 0.54

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 SCHEMBL1943329 0.98 NPC1 (0.71) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL27979643 0.89 MEN1 (0.84) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2401394 0.87 MAPT (0.77) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL15692266 0.87 MAPT (0.60) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL654537 0.83 POLB (0.69) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL501922 0.82 NPC1 (0.73) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL11197955 0.82 MEN1 (0.73) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL32660753 0.81 ALDH1A1 (0.76) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4396084 0.81 ALDH1A1 (0.76) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1944119 0.81 CCR2 (0.64) NPC1RAB9AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
CN-101128427-B Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB 2013-03-27 CN disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1831164-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067401-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2006-06-29 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 (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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885MEN1 4557/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885MEN1 4557/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 NPC1 1658/4885RAB9A 4068/4885MEN1 4671/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 NPC1 1577/4885RAB9A 4032/4885MEN1 4638/4885

“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.