SCHEMBL12525514

SCHEMBL12525514

CC(c1cc(OCc2ccccc2)c2ccccc2c1)N(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER3 P43115 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
SCHEMBL15417898 0.88 REN (0.50) RENMRGPRX4TRPM8NPC1RAB9A
SCHEMBL15418020 0.86 REN (0.59) REN
SCHEMBL15418220 0.85 REN (0.56) RENHPGD
SCHEMBL12525520 0.83 REN (0.65) RENHPGD
SCHEMBL16471632 0.82 REN (0.46) RENKDM2BBACE1
SCHEMBL12525513 0.82 REN (0.45) RENBACE1
SCHEMBL12525524 0.80 REN (0.47) RENMRGPRX4TRPM8HTR2CSLC6A4
SCHEMBL8117152 0.74 MRGPRX4 (0.43) MRGPRX4NPC1RAB9ALMNAPOLB
SCHEMBL4656307 0.73 L3MBTL1 (0.44) POLBL3MBTL1
SCHEMBL8132061 0.73 MRGPRX4 (0.40) MRGPRX4HTR2CSLC6A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
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-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 — — EP 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
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 — — EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 — — WO 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 (3 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885MRGPRX4 628/4885TRPM8 2795/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE REN 1/4885MRGPRX4 200/4885TRPM8 2675/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885MRGPRX4 628/4885TRPM8 2795/4885

“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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