SCHEMBL17013261

SCHEMBL17013261

COC(=O)NCCc1cn(C)c2ccc(C(C)NC3CC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.50
MTNR1B P49286 9/20 0.50
NQO2 P16083 1/20 0.50
SPR P35270 1/20 0.49
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 1/20 0.37
ADRB2 P07550 1/20 0.36

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 SCHEMBL5116140 0.76 SPR (0.76) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL21614239 0.73 KDM4E (0.60) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL17012963 0.73 REN (0.59)
SCHEMBL17013263 0.70 PDE4A (0.47) MTNR1AMTNR1BKMT2AHPGD
SCHEMBL6761760 0.69 MTNR1A (0.69) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL21614211 0.68 MTNR1A (0.73) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL5144427 0.67 MTNR1A (1.00) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL21614219 0.67 MTNR1A (0.54) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL14297211 0.66 SPR (0.78) MTNR1AMTNR1BNQO2SPRMEN1
SCHEMBL12720757 0.66 SPR (1.00) MTNR1AMTNR1BNQO2SPRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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 (1 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE MTNR1A 1560/4885MTNR1B 953/4885NQO2 190/4885

“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.