SCHEMBL17013299

SCHEMBL17013299

COC(=O)NCCCn1cc(C(C)NC2CC2)nc1-c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM3 P20309 5/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
NPR1 P16066 3/20 0.35
QPCT Q16769 1/20 0.35
REN P00797 3/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRA5 P31644 1/20 0.35
HPGDS O60760 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL17013309 0.92 TDP1 (0.40) CHRM3QPCTRENCNR2KDM4E
SCHEMBL17013305 0.90 AVPR1B (0.42)
SCHEMBL17013348 0.89 MAPT (0.36) QPCTRENALDH1A1GRIN2B
SCHEMBL17013300 0.89 REN (0.36) DRD3QPCTREN
SCHEMBL15599789 0.86 LMNA (0.37) QPCTRENCNR2
SCHEMBL17013298 0.84 MC4R (0.37) CHRM3RENCNR2KDM4EALDH1A1
SCHEMBL17013306 0.84 GAA (0.37) CNR2
SCHEMBL17013296 0.83 TEAD1 (0.38) REN
SCHEMBL15599890 0.82 NPC1 (0.38) NPC1RAB9ACHRM3DRD2DRD4
SCHEMBL17013310 0.82 SMYD2 (0.38) RENCNR2

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 NPC1 1953/4885RAB9A 284/4885CHRM3 1597/4885

“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.