SCHEMBL3875408

SCHEMBL3875408

COc1ccc2c(c1)C(=O)C(Br)CC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
CYP19A1 P11511 3/20 0.55
METAP1 P53582 3/20 0.48
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CYP24A1 Q07973 4/20 0.44
CYP27A1 Q02318 2/20 0.44
MAOB P27338 1/20 0.44
CYP26A1 O43174 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL30714800 1.00 ACHE (0.56) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL2440274 0.88 CYP24A1 (0.56) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL1180262 0.84 ACHE (0.69) ACHECYP19A1METAP1ALDH1A1
SCHEMBL5237018 0.83 ACHE (0.71) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL5237012 0.83 ACHE (0.71) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL5237022 0.83 ACHE (0.71) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL6630846 0.81 ACHE (0.56) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL31040171 0.81 CYP19A1 (0.59) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL992002 0.81 ACHE (0.56) ACHECYP19A1METAP1DRD2DRD3
SCHEMBL13363970 0.81 ACHE (0.56) ACHECYP19A1METAP1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567321-A Preparation method of 7-methoxy naphthalene acetonitrile 湖南省湘中制药有限公司 2024-02-20 CN disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 EP disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 US disclosed
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed
US-4602022-A VASODILATORS, ANTIAGGREGANT AGENTS, ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS FARMITALIA CARLO ERBA, S.P.A. (IT) 1986-07-22 US disclosed
US-4588738-A N-imidazolyl derivatives of 1,2,3,4-tetrahydro-naphthalene and indan as platelet aggregation inhibitors FARMITALIA CARLO ERBA S.P.A. (IT) 1986-05-13 US disclosed
US-4510149-A VASODILATORS, HYPOTENSIVE AGENTS, ANTIARTHRITIC AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1985-04-09 US disclosed
US-4492707-A ANTILIPEMIC AGENT FARMITALIA CARLO ERBA S.P.A. (IT) 1985-01-08 US disclosed
US-3932430-A Substituted indeno, naphtho and cyclohepta pyrazoles SANDOZ, INC. (US) 1976-01-13 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 (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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 ACHE 2610/4885CYP19A1 18/4885METAP1 4021/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 ACHE 4124/4885CYP19A1 793/4885METAP1 2921/4885
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 ACHE 2039/4885CYP19A1 7/4885METAP1 542/4885

“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.