SCHEMBL664907

SCHEMBL664907

CN(C)CCCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
REN P00797 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
OPRK1 P41145 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL12138172 0.85 MAPK14 (0.36) SIGMAR1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL10186616 0.85 SPHK1 (0.40) SIGMAR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL664042 0.82 POLB (0.39) MEN1KMT2ARENSMN1; SMN2POLB
SCHEMBL10186620 0.82 POLB (0.41) SIGMAR1CYP1A2MAPTCYP2C19MEN1
SCHEMBL660901 0.82 REN (0.41) CYP1A2CYP2C19MEN1KMT2AREN
SCHEMBL4705517 0.81 KDM4E (0.41) SIGMAR1ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL2635861 0.80 SIGMAR1 (0.44) SIGMAR1MEN1KMT2ARENTSHR
SCHEMBL2635104 0.80 POLB (0.50) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3088350 0.80 TAAR1 (0.44) SIGMAR1ALDH1A1CYP1A2MAPTMEN1
SCHEMBL662625 0.78 KCNH2 (0.40) ALDH1A1CYP1A2CYP2C19MEN1KMT2A

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 7 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-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
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 SIGMAR1 4561/4885ALDH1A1 2104/4885CYP1A2 1154/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SIGMAR1 4395/4885ALDH1A1 2078/4885CYP1A2 576/4885

“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.