SCHEMBL17005373

SCHEMBL17005373

COCCCn1ncc2ccc(CCN(C(=O)OC(C)(C)C)C3CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.46
▸ MAPK1 P28482 1/20 0.36
▸ KMO O15229 4/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ ITK Q08881 4/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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
SCHEMBL12524568 0.80 REN (0.65) REN
SCHEMBL13132542 0.76 REN (0.50) RENNR1H4
SCHEMBL13132274 0.74 REN (0.41) RENITKNR1H4
SCHEMBL2810132 0.73 REN (0.41) RENITKNR1H4
SCHEMBL3074398 0.72 KMO (0.43) RENMAPK1KMOMCHR1CHRM2
SCHEMBL13132302 0.71 REN (0.40) RENITK
SCHEMBL13131542 0.71 REN (0.74) REN
SCHEMBL2834678 0.71 REN (0.49) RENNR1H4
SCHEMBL3086407 0.71 KMO (0.44) RENMAPK1KMOMCHR1CHRM2
SCHEMBL8229362 0.71 REN (0.36) RENMAPK1KMO

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 2 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-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 REN 1/4885MAPK1 281/4885KMO 2900/4885

“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.

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