SCHEMBL358679

SCHEMBL358679

C[C@@H]1CCC[C@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.50
PSEN2 P49810 4/20 0.50
APH1B Q8WW43 4/20 0.50
NCSTN Q92542 4/20 0.50
APH1A Q96BI3 4/20 0.50
PSENEN Q9NZ42 4/20 0.50
KCNA5 P22460 1/20 0.44
OPRM1 P35372 3/20 0.42
OPRL1 P41146 2/20 0.42
TSHR P16473 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 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
SCHEMBL8481267 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL805381 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL360062 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13646399 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10274569 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13646425 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL358271 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14345941 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12899391 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13806911 0.96 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates NATIONAL SCIENCE FOUNDATION 2021-01-14 US disclosed
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-08-25 US disclosed
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-10-17 US disclosed
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-03-26 US disclosed
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES NATIONAL SCIENCE FOUNDATION 2017-06-08 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 WO disclosed
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 EP disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 US disclosed
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (10 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PSEN1 2098/4885PSEN2 3311/4885APH1B 374/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 PSEN1 2957/4885PSEN2 3933/4885APH1B 3563/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C PSEN1 2002/4885PSEN2 1057/4885APH1B 3764/4885
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A PSEN1 3004/4885PSEN2 3524/4885APH1B 2894/4885
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A PSEN1 3004/4885PSEN2 3524/4885APH1B 2894/4885
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A PSEN1 3004/4885PSEN2 3524/4885APH1B 2894/4885
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity ADRB2, ADRB1, ADRA2C PSEN1 2795/4885PSEN2 1783/4885APH1B 3739/4885
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A PSEN1 3004/4885PSEN2 3524/4885APH1B 2894/4885
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A PSEN1 3004/4885PSEN2 3524/4885APH1B 2894/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 PSEN1 1261/4885PSEN2 665/4885APH1B 3690/4885

“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.