SCHEMBL6885233

SCHEMBL6885233

CC(C)C1C(=O)CCc2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.46
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MTNR1B P49286 1/20 0.36
ACHE P22303 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
MAOB P27338 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL8356066 1.00 SRD5A1 (0.46) SRD5A1CYP2D6ALDH1A1MTNR1BACHE
SCHEMBL8355719 1.00 SRD5A1 (0.46) SRD5A1CYP2D6ALDH1A1MTNR1BACHE
SCHEMBL10444032 0.88 SRD5A1 (0.44) SRD5A1CYP2D6MTNR1BTRPV1HTR2A
SCHEMBL2381148 0.83 SRD5A1 (0.39) SRD5A1CYP2D6ALDH1A1MTNR1BACHE
SCHEMBL9827245 0.81 SRD5A1 (0.46) SRD5A1TRPV1HTR2AHTR2CNOTUM
SCHEMBL8707542 0.81 SRD5A1 (0.40) SRD5A1CYP2D6MTNR1BTRPV1HTR2A
SCHEMBL7796406 0.78 SRD5A1 (0.46) SRD5A1ALDH1A1MTNR1BACHETRPV1
SCHEMBL8716246 0.76 PRCP (0.47) SRD5A1CYP2D6HTR2AHTR2C
SCHEMBL10444191 0.74 HTR2C (0.49) SRD5A1CYP2D6ACHEHTR2AHTR2C
SCHEMBL3697223 0.72 ALDH1A1 (0.42) SRD5A1ALDH1A1ACHEMAOBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998049147-A1 PREPARATION OF MIBEFRADIL III F. HOFFMANN-LA ROCHE AG (CH) 1998-11-05 WO claimed
WO-1998049149-A1 PREPARATION OF MIBEFRADIL I F. HOFFMANN-LA ROCHE AG (CH) 1998-11-05 WO claimed
US-5811557-A Preparation of mibefradil via an acetonitrile anion ROCHE COLORADO CORPORATION (US) 1998-09-22 US claimed
US-5808088-A Preparation of mibefradil via an acetamide anion ROCHE COLORADO CORPORATION (US) 1998-09-15 US claimed
EP-3144296-A1 DEUTERATED TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2017-03-22 EP disclosed
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
WO-2013036434-A1 TETRAHYDRONAPHTHALENE DERIVATIVES AS T-TYPE CALCIUM CHANNEL BLOCKER CONCERT PHARMACEUTICALS INC. (US) 2013-03-14 WO disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 US disclosed
US-5808088-A Preparation of mibefradil via an acetamide anion ROCHE COLORADO CORPORATION (US) 1998-09-15 US disclosed
US-5808088-A Preparation of mibefradil via an acetamide anion ROCHE COLORADO CORPORATION (US) 1998-09-15 US disclosed
EP-0787711-A2 Process for the preparation of alpha,beta-unsaturated carboxylic acids F. HOFFMANN-LA ROCHE AG (CH) 1997-08-06 EP disclosed
EP-0177960-B1 DERIVATIVES OF TETRAHYDRONAPHTHALENE, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOFFMANN LA ROCHE (CH) 1991-03-20 EP disclosed
CN-1007727-B PROCESS FOR THE PREPARATION OF TETRAHYDRONAPHTALINE DERIVATIVES HOFFMANN LA ROCHE (CH) 1990-04-25 CN disclosed
US-4680310-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-07-14 US disclosed
CN-85107496-A The method for preparing tetrahydronaphthalenderivatives derivatives 1986-07-23 CN disclosed
EP-0177960-A2 Derivatives of tetrahydronaphthalene, process and intermediates for their preparation and medicines containing them F. HOFFMANN-LA ROCHE AG (CH) 1986-04-16 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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G SRD5A1 1128/4885CYP2D6 853/4885ALDH1A1 1369/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G SRD5A1 1128/4885CYP2D6 853/4885ALDH1A1 1369/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G SRD5A1 1128/4885CYP2D6 853/4885ALDH1A1 1369/4885

“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.