Sugi Predict

Sugi Predict / Compounds / SCHEMBL2808277

SCHEMBL2808277

SCHEMBL2808277

COCCCn1ccc2ccc(C(=O)OC)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ APOBEC3A P31941 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ APOBEC3G Q9HC16 1/20 0.59
▸ MCL1 Q07820 10/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL1809364 0.92 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL2930757 0.88 MCL1 (0.67) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL3352536 0.88 KDM4E (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL9995196 0.87 KDM4E (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL27951540 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL1608276 0.85 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL30443846 0.85 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL6950225 0.85 KDM4E (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL231472 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL30444449 0.83 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2POLB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 — — US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 — — EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 — — EP disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — 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-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-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
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 — — EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 — — US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 — — US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 — — US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 — — EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 — — 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 (5 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 2202/4885KDM4E 689/4885HPGD 1835/4885
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 ALDH1A1 2704/4885KDM4E 1787/4885HPGD 1043/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 ALDH1A1 2704/4885KDM4E 1787/4885HPGD 1043/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC ALDH1A1 224/4885KDM4E 1370/4885HPGD 375/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 ALDH1A1 2704/4885KDM4E 1787/4885HPGD 1043/4885

“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.