SCHEMBL772479

SCHEMBL772479

COc1cc(O)ccc1CN

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
APP P05067 1/20 0.44
CYP3A4 P08684 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL742117 0.98 MAOB (0.53) MAOBMAPTTSHRMAPK1GAA
SCHEMBL4363956 0.85 MAOB (0.57) MAOBTSHRMAPK1TAAR1
SCHEMBL8319257 0.84 MAOB (0.50) MAOBMAPTTSHRMAPK1GAA
SCHEMBL6297020 0.83 MAOB (0.59) MAOBMAPTTSHRMAPK1GAA
SCHEMBL29415192 0.82 MAOB (0.57) MAOBMAPTTSHRMAPK1GAA
SCHEMBL288669 0.82 MAOB (0.57) MAOBMAPTTSHRMAPK1GAA
SCHEMBL13318421 0.82 MAOB (0.57) MAOBMAPTTSHRMAPK1GAA
SCHEMBL8296534 0.82 MAOB (0.57) MAOBMAPTAPPCYP3A4ESR1
SCHEMBL4393909 0.81 ALDH1A1 (0.41) MAOBMAPTMAPK1GAAESR2
SCHEMBL23671876 0.80 MAOB (0.55) MAOBMAPTTSHRMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227482-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-18 US disclosed
EP-4339192-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Regents of the University of California (US) 2024-03-20 EP disclosed
EP-3478284-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-10-04 EP disclosed
US-20230150942-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-11560356-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-24 US disclosed
CN-109661229-B Compounds and compositions for the treatment of cancer 加利福尼亚大学董事会 2022-06-28 CN disclosed
US-20210009523-A1 Compounds and Compositions for the Treatment of Cancer RASCAL THERAPEUTICS, INC. 2021-01-14 US disclosed
EP-3478284-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Regents of The University of California (US) 2019-05-08 EP disclosed
CN-109661229-A Compound and composition for treating cancer 加利福尼亚大学董事会 2019-04-19 CN disclosed
WO-2018005678-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-04 WO disclosed
US-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
US-7750040-B2 G protein-coupled receptor S1P1/EDG1 agonists; low dosage, long lasting immunosuppressive effect; such as 1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalene-4-carboxylic acid 2,4-dimethoxy-benzylamide ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-06 US disclosed
US-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US disclosed
EP-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP disclosed
US-20080064740-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2008-03-13 US disclosed
EP-1805163-A2 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA¬A|PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-07-11 EP disclosed
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO disclosed
WO-2006010544-A2 1, 1A, 5, 5A-TETRAHYDRO-3-THIA-CYCLOPROPA’A! PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-02-02 WO 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-20230150942-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, HCCS, CFTR MAOB 2441/4885MAPT 4548/4885TSHR 4375/4885
US-11560356-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR MAOB 2441/4885MAPT 4548/4885TSHR 4375/4885
US-20080064740-A1 Novel Thiophene Derivatives TPMT, TSLP, NFATC1 MAOB 4403/4885MAPT 2356/4885TSHR 1323/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MAOB 1587/4885MAPT 4157/4885TSHR 2636/4885
US-20210009523-A1 Compounds and Compositions for the Treatment of Cancer TP53, HCCS, CFTR MAOB 2441/4885MAPT 4548/4885TSHR 4375/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP MAOB 1846/4885MAPT 4262/4885TSHR 4820/4885
US-12227482-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR MAOB 2441/4885MAPT 4548/4885TSHR 4375/4885

“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.