SCHEMBL9470893

SCHEMBL9470893

CC(C)(C)OC(=O)C1Cc2ccccc2CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CXCR3 P49682 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
PNMT P11086 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL5967579 1.00 MEN1 (0.44) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL30377560 1.00 MEN1 (0.44) MEN1KMT2ACXCR3OPRM1OPRD1
Hydrochloric Acid SCHEMBL9254983 0.98 MEN1 (0.46) MEN1KMT2ACXCR3OPRM1OPRD1
SCHEMBL17647569 0.87 MTNR1A (0.39) MEN1KMT2ACXCR3PNMTSMYD3
SCHEMBL29707282 0.84 KDM4E (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL32677077 0.84 KDM4E (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL29715383 0.84 KDM4E (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1491696 0.84 KDM4E (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6866846 0.84 KDM4E (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1491698 0.84 KDM4E (0.56) MEN1KMT2AOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
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
CN-1305470-A Amidine compounds JAPAN TOBACCO INC (JP) 2001-07-25 CN disclosed
US-5200416-A CYCLIC AMIDES USV PHARMACEUTICAL CORPORATION (US) 1993-04-06 US 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
EP-0039804-A1 Cyclic amides USV PHARMACEUTICAL CORPORATION (US) 1981-11-18 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 (2 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 MEN1 3630/4885KMT2A 3106/4885CXCR3 1/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 MEN1 3630/4885KMT2A 3106/4885CXCR3 1/4885

“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.