SCHEMBL10090163

SCHEMBL10090163

CCc1ccc(CCOC)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PPARG P37231 3/20 0.47
CYP3A4 P08684 1/20 0.46
RXRA P19793 1/20 0.46
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.38
MCHR1 Q99705 1/20 0.38
CHEK1 O14757 2/20 0.38
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9908621 0.89 HRH3 (0.50) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL26329124 0.86 HRH3 (0.50) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL2614817 0.84 HRH3 (0.51) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL3864978 0.84 PPARG (0.38) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL18015059 0.82 PPARG (0.57) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL14647730 0.81 HRH3 (0.47) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL26329082 0.81 HRH3 (0.49) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL26169754 0.81 HRH3 (0.42) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL2619346 0.80 HRH3 (0.59) HRH3CYP1A2CYP2D6PPARGCYP3A4
SCHEMBL4325068 0.80 PPARG (0.55) HRH3CYP1A2CYP2D6PPARGCYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767317-B1 Methods of synthesizing enantiopure deuterium-enriched pioglitazone POXEL SA (FR) 2023-09-26 US disclosed
US-11319313-B2 Crystalline forms of deuterium-enriched pioglitazone POXEL SA (FR) 2022-05-03 US disclosed
US-20210403464-A1 CRYSTALLINE FORMS OF DEUTERIUM-ENRICHED PIOGLITAZONE POXEL SA (FR) 2021-12-30 US disclosed
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
US-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof MERCK PATENT GMBH (DE) 2008-08-14 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 (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-20080194608-A1 6-Phenylhex-5-Enoic Acid Derivatives, Process for the Preparation Thereof, Pharmaceutical Compositions Comprising Them, and Therapeutic Uses Thereof PCSK9, HMGCR, LIPA HRH3 1330/4885CYP1A2 458/4885CYP2D6 43/4885
US-11767317-B1 Methods of synthesizing enantiopure deuterium-enriched pioglitazone PPARD, GLP1R, DPP4 HRH3 2524/4885CYP1A2 421/4885CYP2D6 42/4885
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS HRH3 2211/4885CYP1A2 3761/4885CYP2D6 3014/4885
US-20210403464-A1 CRYSTALLINE FORMS OF DEUTERIUM-ENRICHED PIOGLITAZONE PPARD, PPARA, PPARG HRH3 2702/4885CYP1A2 1056/4885CYP2D6 406/4885
US-11319313-B2 Crystalline forms of deuterium-enriched pioglitazone PPARD, PPARA, PPARG HRH3 2702/4885CYP1A2 1056/4885CYP2D6 406/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF HRH3 894/4885CYP1A2 2567/4885CYP2D6 1718/4885

“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.