Sugi Predict

Sugi Predict / Compounds / SCHEMBL315654

SCHEMBL315654

SCHEMBL315654

COc1cccc2c[c]oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.47
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40

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
SCHEMBL767336 0.80 ADORA3 (0.47) CYP2A6NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5940629 0.72 NQO1 (0.38) CYP2A6NPC1RAB9AKDM4EMAPT
SCHEMBL766977 0.72 HTR2A (0.31) —
SCHEMBL767050 0.70 ERN1 (0.34) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL533234 0.69 CYP1A2 (0.38) CYP2A6LMNAALDH1A1CA12CA9
SCHEMBL767227 0.69 ALDH1A1 (0.40) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL3380112 0.69 CYP2A6 (0.47) CYP2A6NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL595172 0.68 ALDH1A1 (0.58) CYP2A6NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4622015 0.67 ADORA3 (0.37) CYP2A6NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5543627 0.65 EPHX2 (0.32) KDM4EKMT2AMEN1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US claimed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US claimed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — US claimed
EP-2969003-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS The University of Chicago (US) 2016-01-20 — — EP claimed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 — — EP claimed
WO-2014144710-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2014-09-18 — — WO claimed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 — — US claimed
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-10-08 — — US claimed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 — — EP claimed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 — — US claimed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 — — EP claimed
WO-2002006270-A1 NOVEL 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 — — WO claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 — — EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 — — WO claimed
US-6177443-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-01-23 — — US claimed
US-6090797-A ADJUSTMENT OF GLUCOSE METABOLISM; HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2000-07-18 — — US claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 — — WO claimed
WO-2000014090-A1 4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE DERIVATIVES NOVO NORDISK A/S (DK) 2000-03-16 — — WO claimed
EP-0973778-A1 4,5,6,7-TETRAHYDRO-THIENO 3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-01-26 — — EP claimed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 — — WO claimed

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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR CYP2A6 2557/4885NPC1 4797/4885RAB9A 4156/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 CYP2A6 742/4885NPC1 1196/4885RAB9A 599/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR CYP2A6 2557/4885NPC1 4797/4885RAB9A 4156/4885

“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.