SCHEMBL2990561

SCHEMBL2990561

COC1CCC(C(=O)Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
GRM1 Q13255 12/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
OPRM1 P35372 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17803022 1.00 EPHX2 (0.39) EPHX2GRM1ADORA3MAPK8MAPK10
SCHEMBL2078838 0.85
SCHEMBL9845543 0.82
SCHEMBL28034929 0.80 CHRNB2 (0.38) EPHX2GRM1ADORA3MAPK8MAPK10
SCHEMBL28003109 0.80 CHRNB2 (0.38) EPHX2GRM1ADORA3MAPK8MAPK10
SCHEMBL28034927 0.80 CHRNB2 (0.38) EPHX2GRM1ADORA3MAPK8MAPK10
SCHEMBL23156507 0.80 EPHX2 (0.32) EPHX2
SCHEMBL1060400 0.79 CHRNB2 (0.36) HSD17B10
SCHEMBL890380 0.79 CHRNB2 (0.36) HSD17B10
SCHEMBL4279 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-09-26 US disclosed
US-20220002299-A1 TRICYCLIC PYRIDONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-01-06 US disclosed
WO-2022006456-A1 TRICYCLIC PYRIDONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2022-01-06 WO disclosed
CN-113666920-A Preparation method of benzoxazole compound and application of benzoxazole compound in field of medicine 上海华汇拓医药科技有限公司 2021-11-19 CN disclosed
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 US disclosed
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 US disclosed
US-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-24 US disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 US disclosed
WO-2019193062-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE ABBVIE S.Á.R.L (LU) 2019-10-10 WO disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
EP-1370531-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R & D Limited (GB) 2003-12-17 EP disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 WO disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 WO disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-4014922-A CYCLOPROPYL SUBSTITUTED ESTERS; MITICIDES ZOECON CORPORATION (US) 1977-03-29 US disclosed
US-3948961-A CYCLOPROPYL ALKYL CARBOXYLATES, MITICIDE, INSECTICIDE ZOECON CORPORATION (US) 1976-04-06 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 (7 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-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists OPRL1, OPRM1, OPRK1 EPHX2 1588/4885GRM1 31/4885ADORA3 231/4885
US-20220002299-A1 TRICYCLIC PYRIDONE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, JAK3 EPHX2 4392/4885GRM1 2431/4885ADORA3 2967/4885
US-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 EPHX2 4392/4885GRM1 2431/4885ADORA3 2967/4885
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH2, IDH3B EPHX2 677/4885GRM1 3513/4885ADORA3 4392/4885
US-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 EPHX2 592/4885GRM1 870/4885ADORA3 645/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH EPHX2 760/4885GRM1 1204/4885ADORA3 1528/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB EPHX2 1899/4885GRM1 84/4885ADORA3 162/4885

“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.