SCHEMBL64208

SCHEMBL64208

COC(=O)CCc1cc(OC)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
HSD17B10 Q99714 1/20 0.59
ADRA1A P35348 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
BRD4 O60885 1/20 0.53
AOC3 Q16853 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IDO1 P14902 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL26951416 0.89 MTNR1B (0.64) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7267986 0.88 MTNR1A (0.63) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL585472 0.87 APLNR (0.56) MEN1KMT2ARAB9A
SCHEMBL7332981 0.87 HSD17B10 (0.63) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL490458 0.86 HSD17B10 (0.55) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL491188 0.85 HSD17B10 (0.71) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL11077966 0.85 MTNR1A (0.62) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL30436820 0.85 HSD17B10 (0.71) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL7060135 0.84 MTNR1A (0.58) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL2968686 0.84 NPC1 (0.60) MTNR1AMTNR1BMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
WO-2014082381-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-06-05 WO disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-7871822-B2 Method of use for characterizing the catalytic reactivity of catalyst(s) NOVALYST DISCOVERY (FR) 2011-01-18 US disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20070161038-A1 Method of use for characterizing the catalytic reactivity of catalyst(s) NOVALYST DISCOVERY (FR) 2007-07-12 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 (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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 MTNR1A 2668/4885MTNR1B 2072/4885HSD17B10 377/4885
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MTNR1A 3414/4885MTNR1B 3549/4885HSD17B10 2123/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MTNR1A 2295/4885MTNR1B 1752/4885HSD17B10 492/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MTNR1A 3722/4885MTNR1B 4193/4885HSD17B10 1235/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MTNR1A 3414/4885MTNR1B 3549/4885HSD17B10 2123/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MTNR1A 2295/4885MTNR1B 1752/4885HSD17B10 492/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 MTNR1A 2295/4885MTNR1B 1752/4885HSD17B10 492/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 MTNR1A 1124/4885MTNR1B 338/4885HSD17B10 157/4885

“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.