SCHEMBL2172552

SCHEMBL2172552

COCOCCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
HTR2A P28223 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
IDO1 P14902 2/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FPR2 P25090 1/20 0.35
KCNH2 Q12809 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL21382605 0.90 L3MBTL1 (0.42) TAAR1HTR2AL3MBTL1KDM4EGLA
SCHEMBL8417751 0.86 TAAR1 (0.45) TAAR1HTR2AL3MBTL1KDM4EGLA
SCHEMBL7007233 0.85 TAAR1 (0.48) TAAR1HTR2AIDO1MAOBMAOA
SCHEMBL517859 0.83 TAAR1 (0.50) TAAR1HTR2AL3MBTL1KDM4EGLA
SCHEMBL2515837 0.83 TAAR1 (0.54) TAAR1HTR2AIDO1MAOBMAOA
SCHEMBL7931860 0.82 TAAR1 (0.42) TAAR1HTR2AIDO1MAOBMAOA
SCHEMBL15114792 0.82 KCNH2 (0.50) TAAR1IDO1MAPTKMT2AKCNH2
SCHEMBL31246192 0.80 TAAR1 (0.44) TAAR1L3MBTL1KDM4EIDO1MAOB
SCHEMBL15114763 0.80 ESR1 (0.50) TAAR1L3MBTL1KDM4EMAPTNPC1
SCHEMBL27756949 0.80 TAAR1 (0.53) TAAR1L3MBTL1IDO1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
EP-2076503-B1 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP disclosed
CN-101490028-B C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO LTD 2013-02-06 CN disclosed
US-7973012-B2 C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-07-05 US disclosed
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US disclosed
CN-101490028-A C-phenyl glycitol compound for the treatment of diabetes TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-22 CN disclosed
EP-2076503-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP disclosed
US-7541341-B2 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP disclosed
US-20040063170-A1 Glucopyranosyloxybenzyl benzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
US-20040005649-A1 Anti-stilbene antibodies SCRIPPS RESEARCH INSTITUTE, THE 2004-01-08 US disclosed
EP-1367060-A1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-12-03 EP disclosed
EP-1344780-A1 GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-09-17 EP disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
WO-2002022629-A1 ANTI-STILBENE ANTIBODIES THE SCRIPPS RESEARCH INSTITUTE (US) 2002-03-21 WO disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (4 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK TAAR1 4598/4885HTR2A 1003/4885L3MBTL1 4877/4885
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 TAAR1 3771/4885HTR2A 2993/4885L3MBTL1 1761/4885
US-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 TAAR1 599/4885HTR2A 1996/4885L3MBTL1 4411/4885
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof SLC5A2, SLC5A1, SLC2A1 TAAR1 3994/4885HTR2A 1233/4885L3MBTL1 2232/4885

“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.