SCHEMBL660913

SCHEMBL660913

COC/C=C/c1cc(C(=O)NC2CC2)cc(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
HPGDS O60760 6/20 0.41
MCHR1 Q99705 5/20 0.40
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
KCNH2 Q12809 1/20 0.39
AURKB Q96GD4 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL660914 1.00 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL662399 0.92 MEN1 (0.44) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL662398 0.92 MEN1 (0.44) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518229 0.79 MCHR1 (0.47) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518228 0.79 MCHR1 (0.47) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL661794 0.75 TAS1R3 (0.69) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL663196 0.74 MEN1 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1518352 0.73 MEN1 (0.41) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518354 0.73 MEN1 (0.41) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL23304420 0.69 MEN1 (0.53) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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 3 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-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (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 TAS1R3 3924/4885TAS1R1 3822/4885TAS1R2 3830/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT TAS1R3 3762/4885TAS1R1 3151/4885TAS1R2 3652/4885

“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.