SCHEMBL17013306

SCHEMBL17013306

COC(=O)NCCCn1cc(C(C)NC2CC2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
CNR1 P21554 6/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
P2RX3 P56373 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 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
SCHEMBL15599789 0.93 LMNA (0.37) GAACNR1LMNAMAPK1KMT2A
SCHEMBL17013348 0.91 MAPT (0.36) LMNASMN1; SMN2
SCHEMBL17013300 0.91 REN (0.36)
SCHEMBL17013305 0.89 AVPR1B (0.42)
SCHEMBL17013296 0.88 TEAD1 (0.38)
SCHEMBL17013309 0.86 TDP1 (0.40) LMNACNR2
SCHEMBL17013304 0.85 CNR2 (0.42) CNR1KMT2ACNR2
SCHEMBL17013299 0.84 NPC1 (0.37) CNR2
SCHEMBL17013310 0.83 SMYD2 (0.38) HTTKMT2ACNR2
SCHEMBL17013298 0.82 MC4R (0.37) GAACNR1MAPK1KMT2ACNR2

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 GAA 1408/4885KDM4C 1433/4885CNR1 204/4885

“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.