SCHEMBL4201312

SCHEMBL4201312

N#CC1(c2ccc(F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL2772192 0.94 CYP1A2 (0.43) OPRM1ALDH1A1CYP2D6CYP1A2
SCHEMBL623955 0.91 ALDH1A1 (0.46) OPRM1ALDH1A1CYP2D6NPC1LMNA
SCHEMBL1019298 0.91 ALDH1A1 (0.49) OPRM1ALDH1A1NPC1LMNATP53
SCHEMBL17761267 0.90 OPRM1 (0.44) OPRM1ALDH1A1CYP2D6NPC1LMNA
SCHEMBL1021622 0.90 ALDH1A1 (0.48) OPRM1ALDH1A1NPC1LMNATP53
SCHEMBL31441142 0.90 ALDH1A1 (0.48) OPRM1ALDH1A1NPC1LMNATP53
SCHEMBL2302830 0.86 OPRM1 (0.40) OPRM1ALDH1A1CYP2D6NPC1LMNA
SCHEMBL625655 0.86 OPRM1 (0.40) OPRM1ALDH1A1CYP2D6NPC1LMNA
SCHEMBL1558011 0.86 ALDH1A1 (0.38) OPRM1ALDH1A1CYP2D6NPC1LMNA
SCHEMBL1559063 0.85 PDE4A (0.45) OPRM1ALDH1A1CYP2D6NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2024-04-30 — — US disclosed
CN-113896685-B Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2024-02-06 — — CN disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 — — US disclosed
EP-3414224-B1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-03-23 — — EP disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 — — US disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 — — US disclosed
CN-113896685-A Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2022-01-07 — — CN disclosed
CN-113861072-A Preparation method of aryl cyclopropane compound 上海麦克林生化科技有限公司 2021-12-31 — — CN disclosed
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 — — US disclosed
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 — — US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 — — US disclosed
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK SHARP & DOHME LLC 2004-03-11 — — US disclosed
WO-2003104208-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 — — WO disclosed
WO-2003104207-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 — — WO disclosed
EP-0900218-B1 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2002-07-24 — — EP disclosed
EP-0900218-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-05-23 — — EP disclosed
US-6117883-A Heterocyclic compounds ELI LILLY AND COMPANY (US) 2000-09-12 — — US disclosed
EP-0900218-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 — — EP disclosed
WO-1997040044-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 — — WO disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 — — 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-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA HSD11B1, HSD17B1, HSD11B2 OPRM1 1495/4885ALDH1A1 187/4885CYP2D6 325/4885
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT OPRM1 1965/4885ALDH1A1 801/4885CYP2D6 150/4885
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT OPRM1 1965/4885ALDH1A1 801/4885CYP2D6 150/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT OPRM1 1965/4885ALDH1A1 801/4885CYP2D6 150/4885
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 OPRM1 295/4885ALDH1A1 816/4885CYP2D6 120/4885

“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.

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