Sugi Predict

Sugi Predict / Compounds / SCHEMBL670118

SCHEMBL670118

SCHEMBL670118

COC(=O)c1cccc(OCC2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.52
▸ SLC6A4 P31645 4/20 0.52
▸ HTR3A P46098 2/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ NR1H4 Q96RI1 2/20 0.51
▸ KDM1A O60341 6/20 0.51
▸ SLC6A3 Q01959 3/20 0.49
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ CYSLTR1 Q9Y271 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL20190433 0.91 NR1H4 (0.60) NR1H4MRGPRX4CYSLTR1NPC1POLB
SCHEMBL20897525 0.88 NR1H4 (0.54) NR1H4MRGPRX4CYSLTR1RAB9ASMN1; SMN2
SCHEMBL16787927 0.87 SLC6A2 (0.55) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL10293632 0.87 KAT6A (0.54) NR1H4RAB9ASMN1; SMN2
SCHEMBL16031001 0.85 SLC2A1 (0.52) NR1H4MRGPRX4CYSLTR1NPC1POLB
SCHEMBL240271 0.84 TDP1 (0.64) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL5187130 0.82 ACP1 (0.48) TDP1MRGPRX4CYSLTR1NPC1POLB
SCHEMBL2809197 0.81 HRH3 (0.50) NR1H4
SCHEMBL26668494 0.80 SLC6A2 (0.71) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL2807802 0.80 EPHX2 (0.55) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 — — US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 — — EP disclosed
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 — — US disclosed
US-8273762-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2012-09-25 — — US disclosed
EP-2477498-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-07-25 — — EP disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 — — US disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 — — WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 — — WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 — — WO disclosed
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-23 — — US disclosed
US-7754882-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2010-07-13 — — US disclosed
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 — — CN disclosed
EP-1893613-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 — — EP disclosed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 — — US disclosed
WO-2006138604-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 — — WO disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 — — CN 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 (7 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 SLC6A2 2294/4885SLC6A4 2075/4885HTR3A 3049/4885
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC6A2 29/4885SLC6A4 15/4885HTR3A 12/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC6A2 29/4885SLC6A4 15/4885HTR3A 12/4885
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT SLC6A2 2208/4885SLC6A4 2000/4885HTR3A 3455/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 SLC6A2 2294/4885SLC6A4 2075/4885HTR3A 3049/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC6A2 29/4885SLC6A4 15/4885HTR3A 12/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 SLC6A2 2294/4885SLC6A4 2075/4885HTR3A 3049/4885

“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.