SCHEMBL9965797

SCHEMBL9965797

COc1ccccc1CNC(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CHRM2 P08172 9/20 0.54
GRIN1 Q05586 4/20 0.54
GRIN2A Q12879 4/20 0.54
BCHE P06276 4/20 0.54
ACHE P22303 4/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54

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
Hydrochloric Acid SCHEMBL841799 0.98 ATM (0.65) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL9416002 0.85 ATM (0.63) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL21346316 0.84 ALDH1A1 (0.62) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL31113981 0.84 ALDH1A1 (0.62) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL4901405 0.84 L3MBTL1 (0.61) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL23330757 0.84 ATM (0.49) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL12000676 0.83 TACR1 (0.48) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL3670110 0.82 ATM (0.73) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL21346095 0.82 HTR2A (0.49) ATML3MBTL1ALDH1A1GAAMAPT
SCHEMBL3670113 0.82 ATM (0.73) ATML3MBTL1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115167-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC. 2023-05-11 US disclosed
WO-2023070228-A1 NOVEL BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE CANADA INC. (CA) 2023-05-04 WO disclosed
US-10561661-B2 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2020-02-18 US disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 WO disclosed
EP-2907514-B1 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2019-10-23 EP disclosed
EP-3002287-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors NAT DEFENSE MEDICAL CENTER (TW) 2018-01-31 EP disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof KULING THERAPEUTICS (CN) 2017-10-19 US disclosed
US-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof KULING THERAPEUTICS (CN) 2017-10-19 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 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 (6 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 ATM 719/4885L3MBTL1 2080/4885ALDH1A1 3857/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 ATM 1162/4885L3MBTL1 2441/4885ALDH1A1 961/4885
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, HTR2A, HTR3B ATM 2283/4885L3MBTL1 1463/4885ALDH1A1 2466/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ATM 4782/4885L3MBTL1 769/4885ALDH1A1 1424/4885
US-10561661-B2 Purine derivative compounds for medical use MSR1, TPMT, M6PR ATM 2759/4885L3MBTL1 713/4885ALDH1A1 1826/4885
US-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof RORC, RORB, RORA ATM 4874/4885L3MBTL1 4210/4885ALDH1A1 1650/4885

“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.