Sugi Predict

Sugi Predict / Compounds / SCHEMBL7733992

SCHEMBL7733992

SCHEMBL7733992

C[C@@H]1Cc2ccccc2N1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.55
▸ HTR2A P28223 4/20 0.47
▸ HTR2C P28335 4/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43

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
SCHEMBL31672940 1.00 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL6890897 1.00 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL811795 1.00 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BLMNA
Ammonia Solution, Strong SCHEMBL29093479 0.98 NOTUM (0.53) NOTUMHTR2AHTR2CHTR2BLMNA
Hydrochloric Acid SCHEMBL28861795 0.98 NOTUM (0.53) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL27711736 0.89 NOTUM (0.50) NOTUMHTR2AHTR2CHTR2BLMNA
Formamide SCHEMBL4376802 0.89 NOTUM (0.50) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL787596 0.79 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL21172724 0.79 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL21172504 0.79 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4124616-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2023-02-01 — — EP disclosed
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 — — EP disclosed
EP-3309151-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2018-04-18 — — EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 — — EP disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 — — US disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 — — US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 — — US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 — — US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 — — US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 — — US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 — — 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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOTUM 3000/4885HTR2A 4623/4885HTR2C 4557/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOTUM 3000/4885HTR2A 4623/4885HTR2C 4557/4885
US-20130225549-A1 DIHYDROPTERIDINONES I BACE1, APP, BACE2 NOTUM 541/4885HTR2A 2810/4885HTR2C 4036/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOTUM 3000/4885HTR2A 4623/4885HTR2C 4557/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NOTUM 1955/4885HTR2A 657/4885HTR2C 696/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOTUM 3000/4885HTR2A 4623/4885HTR2C 4557/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NOTUM 2098/4885HTR2A 784/4885HTR2C 788/4885

“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.