SCHEMBL664699

SCHEMBL664699

COCCc1ccc(Cl)c(CNCC2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CXCR4 P61073 11/20 0.43
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.39
REN P00797 4/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL661726 0.95 MEN1 (0.46) MEN1KMT2ACYP3A4TP53CYP2D6
SCHEMBL10186664 0.85 MEN1 (0.55) MEN1KMT2ACYP3A4TP53CYP2D6
SCHEMBL8251205 0.82 HTR1A (0.44) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL662625 0.81 KCNH2 (0.40) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL10186673 0.80 MEN1 (0.49) MEN1KMT2ACYP3A4TP53CYP2D6
SCHEMBL662524 0.79 POLB (0.42) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL660708 0.79 SLC6A4 (0.47) SIGMAR1HTTKCNH2
SCHEMBL2635570 0.79 EPHX2 (0.47) KMT2ATP53
Acetic Acid SCHEMBL3038286 0.78 REN (0.40) KMT2ACYP3A4RENKCNH2
Hydrochloric Acid SCHEMBL4685679 0.78 EPHX2 (0.47) KMT2ATP53

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-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-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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 MEN1 3395/4885KMT2A 4587/4885CYP3A4 774/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MEN1 3226/4885KMT2A 4576/4885CYP3A4 531/4885

“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.