SCHEMBL4163337

SCHEMBL4163337

COC(=O)c1ccc2cc(O)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.50
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 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
SCHEMBL18572013 0.88 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2002585 0.88 ESR2 (0.44) HSD17B14CA12CA1CA2CA7
SCHEMBL16880740 0.83 HSD17B14 (0.51) HSD17B14HTTKDM4EALDH1A1ALOX15
SCHEMBL4758774 0.83 HTT (0.42) HTTKDM4EALDH1A1LCKALOX15
SCHEMBL23458543 0.83 HSD17B14 (0.47) HSD17B14ESR1ESR2GABRPGABRD
SCHEMBL2210778 0.83 CYP1A2 (0.54) HSD17B14CA12CA1CA2CA7
SCHEMBL9222973 0.82 MAPK1 (0.46) HTTKDM4EALDH1A1LCKALOX15
SCHEMBL3361032 0.82 HTT (0.41) HTTKDM4EALDH1A1LCKALOX15
SCHEMBL3364644 0.82 LMNA (0.50) HTTKDM4EALDH1A1ALOX15ABCG2
SCHEMBL2004085 0.82 ABCG2 (0.55) HTTKDM4EALDH1A1ALOX15ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 CN disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
CN-111278821-A Spiro compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 CN disclosed
US-20150218102-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC. 2015-08-06 US disclosed
US-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-08-06 US disclosed
CN-101437797-A Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
EP-1994003-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM . AstraZeneca AB (SE) 2008-11-26 EP disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
EP-1499319-B1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-12-05 EP disclosed
WO-2007102768-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM . ASTRAZENECA AB (SE) 2007-09-13 WO disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 US disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 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-20090197914-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR4 HSD17B14 1573/4885CA12 3924/4885CA1 3930/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 HSD17B14 197/4885CA12 4172/4885CA1 3882/4885
US-20070112008-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A HSD17B14 234/4885CA12 2283/4885CA1 4449/4885
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 HSD17B14 1384/4885CA12 3951/4885CA1 1987/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 HSD17B14 162/4885CA12 4040/4885CA1 4026/4885
US-20150218102-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE SCN8A, SCN7A, SCN2A HSD17B14 1562/4885CA12 2427/4885CA1 875/4885

“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.