SCHEMBL10169575

SCHEMBL10169575

COC(=O)c1ccc(CCCC(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.68
CYP4F2 P78329 2/20 0.66
LOXL2 Q9Y4K0 1/20 0.54
GRIN2D O15399 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
CKS1B P61024 1/20 0.49
SKP2 Q13309 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8293519 0.90 CYP4A11 (0.62) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL16523044 0.86 CYP4A11 (0.62) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL9206449 0.85 CYP4A11 (0.66) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL70185 0.82 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL16542460 0.81 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL29055656 0.81 CYP4A11 (0.60) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL24370665 0.81 GRIN2D (0.71) GRIN2DGRIN2AGRIN2BGRIN2CALDH1A1
SCHEMBL10609552 0.81 CYP4A11 (0.74) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL31276855 0.81 HSD17B10 (0.61) CYP4A11CYP4F2GRIN2DGRIN2AGRIN2B
SCHEMBL2654777 0.81 CYP4A11 (1.00) CYP4A11CYP4F2LOXL2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO disclosed
EP-3510022-B1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-08-05 EP disclosed
CN-110072858-A Indole derivatives as glucagon receptor antagonist 詹森药业有限公司 2019-07-30 CN disclosed
EP-3510022-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS Janssen Pharmaceutica NV (BE) 2019-07-17 EP disclosed
US-10251864-B2 Indole derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-04-09 US disclosed
US-10251864-B2 Indole derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-04-09 US disclosed
WO-2018048761-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 WO disclosed
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
WO-2012054364-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 WO disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 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 (5 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-10251864-B2 Indole derivatives useful as glucagon receptor antagonists GPR119, GIPR, GLP1R CYP4A11 921/4885CYP4F2 2231/4885LOXL2 1651/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 CYP4A11 44/4885CYP4F2 58/4885LOXL2 4609/4885
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GPR119, GIPR, GLP1R CYP4A11 921/4885CYP4F2 2231/4885LOXL2 1651/4885
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CYP4A11 2671/4885CYP4F2 2973/4885LOXL2 3103/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 CYP4A11 3601/4885CYP4F2 3655/4885LOXL2 2318/4885

“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.