SCHEMBL662472

SCHEMBL662472

Clc1ccc(Br)cc1CNC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
KCNH2 Q12809 3/20 0.47
LMNA P02545 2/20 0.47
GBA1 P04062 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CNR1 P21554 1/20 0.47
TBXA2R P21731 1/20 0.47
HRH2 P25021 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BACE1 P56817 2/20 0.43
HTT P42858 3/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40

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
SCHEMBL23124460 0.86 GRM2 (0.48) SLC6A4KCNH2LMNAGBA1CYP1A2
SCHEMBL1039759 0.82 BCHE (0.50) SLC6A4LMNABACE1HTTGLA
SCHEMBL2635104 0.81 POLB (0.50) SLC6A4KCNH2CYP1A2CYP2D6CYP3A4
SCHEMBL662406 0.79 LMNA (0.50) SLC6A4KCNH2LMNAGBA1CYP1A2
SCHEMBL12757504 0.77 POLB (0.42) SLC6A4KCNH2LMNAGBA1CYP1A2
SCHEMBL12757502 0.77 CSNK2A1 (0.44) SLC6A4KCNH2LMNAGBA1CYP1A2
SCHEMBL23124871 0.76 KDM1A (0.57) SLC6A4KCNH2LMNAGBA1CYP1A2
SCHEMBL5736421 0.76 CYP1A2 (0.43) SLC6A4KCNH2LMNAGBA1CYP1A2
SCHEMBL2635861 0.76 SIGMAR1 (0.44) SLC6A4TSHRTDP1BACE1HTT
SCHEMBL5271971 0.76 KDM4E (0.51) SLC6A4KCNH2LMNATDP1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 US disclosed
CN-101395135-A Novel primary amides ACTELION PHARMACEUTICALS LTD (CH) 2009-03-25 CN disclosed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 SLC6A4 1352/4885KCNH2 1215/4885LMNA 1559/4885
US-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 SLC6A4 413/4885KCNH2 729/4885LMNA 915/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SLC6A4 2577/4885KCNH2 1536/4885LMNA 1587/4885
US-20090062342-A1 AMINES REN, ACE, MAOA SLC6A4 181/4885KCNH2 656/4885LMNA 1225/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 SLC6A4 504/4885KCNH2 476/4885LMNA 1498/4885

“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.