SCHEMBL2386941

SCHEMBL2386941

COc1ccc(C)cc1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
TAAR1 Q96RJ0 3/20 0.47
ADRA1A P35348 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC13A5 Q86YT5 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL857370 0.98 ACHE (0.54) ACHEALDH1A1CYP3A4TAAR1ADRA1A
SCHEMBL8708761 0.84 TAAR1 (0.68) TAAR1ADRA1A
SCHEMBL30546634 0.84 TAAR1 (0.68) TAAR1ADRA1A
SCHEMBL95794 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4TAAR1L3MBTL1
SCHEMBL11288361 0.83 ACHE (0.60) ACHEALDH1A1CYP3A4L3MBTL1MAPT
Hydrochloric Acid SCHEMBL2064312 0.82 ACHE (0.54) ACHEALDH1A1CYP3A4TAAR1L3MBTL1
Hydrochloric Acid SCHEMBL31157559 0.82 ACHE (0.54) ACHEALDH1A1CYP3A4TAAR1L3MBTL1
SCHEMBL8282401 0.81 ACHE (0.58) ACHEALDH1A1CYP3A4TAAR1L3MBTL1
SCHEMBL14394777 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL5471787 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417383-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2024-12-19 US disclosed
CN-113024467-B PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof 米托布里奇公司 2024-08-06 CN disclosed
EP-3770146-B1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ASTELLAS ENG SMALL MOLECULES US INCORPORATED (US) 2024-07-24 EP disclosed
CN-113004205-B PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof 米托布里奇公司 2024-07-02 CN disclosed
US-20230373948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2023-11-23 US disclosed
EP-3795566-B1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE INC (US) 2023-04-19 EP disclosed
US-11578052-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2023-02-14 US disclosed
EP-3359528-B1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE INC (US) 2022-01-12 EP disclosed
CN-108349904-B PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof 米托布里奇公司 2021-08-31 CN disclosed
US-20210253549-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2021-08-19 US disclosed
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP disclosed
EP-0059355-A2 Use of reactive dyestuffs in dyeing and printing of hydroxylgroups containing fibrous materials BAYER AG (DE) 1982-09-08 EP 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 (8 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R ACHE 3396/4885ALDH1A1 209/4885CYP3A4 1940/4885
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 ACHE 3867/4885ALDH1A1 2657/4885CYP3A4 2896/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 ACHE 3006/4885ALDH1A1 2316/4885CYP3A4 2801/4885
US-20210253549-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACHE 2370/4885ALDH1A1 1587/4885CYP3A4 1649/4885
US-20240417383-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACHE 2370/4885ALDH1A1 1587/4885CYP3A4 1649/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 ACHE 3867/4885ALDH1A1 2657/4885CYP3A4 2896/4885
US-20230373948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACHE 2370/4885ALDH1A1 1587/4885CYP3A4 1649/4885
US-11578052-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA ACHE 2370/4885ALDH1A1 1587/4885CYP3A4 1649/4885

“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.