SCHEMBL7744084

SCHEMBL7744084

CCOC(=O)[C@@H]1Cc2ccccc2CN1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NR1D1 P20393 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL7743516 1.00 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL3319088 1.00 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL31669038 1.00 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL30377815 0.98 KDM4E (0.60) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL8702078 0.98 KDM4E (0.60) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL8121954 0.98 KDM4E (0.60) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL27957676 0.90 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL17918582 0.86 KMT2A (0.45) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL7435456 0.85 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL7745991 0.83 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
US-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 US disclosed
US-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 US disclosed
US-20150322111-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
US-20150322111-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
WO-2014047024-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed
EP-0061186-B1 DIPEPTIDES CONTAINING THIALYSINE AND HOMOLOGS AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-05-21 EP disclosed
US-4512979-A Dipeptides containing thialysine and related amino acids as antihypertensives MERCK & CO., INC. (US) 1985-04-23 US disclosed
EP-0065301-A1 Isoquinoline carboxylic acid derivates, process for preparing and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1982-11-24 EP disclosed
EP-0061186-A1 Dipeptides containing thialysine and homologs as antihypertensives MERCK & CO. INC. (US) 1982-09-29 EP disclosed
EP-0018549-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1981-12-30 EP disclosed
US-4294832-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1981-10-13 US disclosed
EP-0018549-A2 Tetrahydroisoquinoline compounds, process for preparing them and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-11-12 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 (3 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-20150322111-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 KDM4E 3652/4885CYP1A2 4826/4885CYP2D6 4842/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 KDM4E 4161/4885CYP1A2 1702/4885CYP2D6 2230/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 KDM4E 4161/4885CYP1A2 1702/4885CYP2D6 2230/4885

“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.