SCHEMBL3976285

SCHEMBL3976285

CC(=O)NC1CCc2cc(O)ccc2C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.72
CA2 P00918 8/20 0.72
ACHE P22303 5/20 0.72
MTNR1A P48039 7/20 0.68
MTNR1B P49286 7/20 0.68
DRD3 P35462 2/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
OPRK1 P41145 1/20 0.51
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA9 Q16790 1/20 0.49

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
SCHEMBL9669811 0.94 CA1 (0.72) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9505624 0.87 CA1 (0.63) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL20909871 0.85 MTNR1A (0.68) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL7399411 0.82 CA1 (0.64) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL20883597 0.81 MTNR1A (0.62) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL3975748 0.81 MTNR1A (0.90) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL6839556 0.81 CA1 (0.62) CA1CA2ACHEDRD3DRD2
SCHEMBL1970411 0.81 MTNR1A (1.00) CA1CA2MTNR1AMTNR1BDRD2
SCHEMBL1970413 0.81 MTNR1A (1.00) CA1CA2MTNR1AMTNR1BDRD2
SCHEMBL433099 0.80 CA1 (0.70) CA1CA2ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554240-B1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2009-05-06 EP disclosed
US-7351857-B2 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-01 US disclosed
CN-100354259-C Substituted tetralins and indanes and their use JANSSEN PHARMACEUTICA NV (BE) 2007-12-12 CN disclosed
CN-100349864-C Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA NV (BE) 2007-11-21 CN disclosed
US-20060247314-A1 Substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
CN-1798732-A Substituted tetralins and indanes JANSSEN PHARMACEUTICA NV (BE) 2006-07-05 CN disclosed
US-20060094786-A1 Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 US disclosed
US-20060074130-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-06 US disclosed
CN-1726188-A Treatment of syndrome X with substituted 1,2,3, 4-tetrahydronaphthalenes and indanes JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN disclosed
CN-1726187-A Substituted tetralins and indanes and their use JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN disclosed
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-02 US disclosed
US-20040167211-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-19 US disclosed
WO-2004037779-A1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2004037777-A1 TREATING SYNDROME X WITH SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
WO-2004037778-A1 SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
EP-0253257-B1 SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHYL-OXYACETIC ACIDS, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS BAYER AG (DE) 1990-11-14 EP disclosed
US-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
EP-0253257-A2 Substituted amino-5,6,7,8-tetrahydronaphthyl-oxyacetic acids, method for their preparation and their application as medicaments BAYER AG (DE) 1988-01-20 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 (6 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-20060094786-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD CA1 4769/4885CA2 3706/4885ACHE 4405/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD CA1 4250/4885CA2 2558/4885ACHE 4010/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD CA1 4769/4885CA2 3706/4885ACHE 4405/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD CA1 4769/4885CA2 3706/4885ACHE 4405/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD CA1 4250/4885CA2 2558/4885ACHE 4010/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD CA1 4753/4885CA2 3976/4885ACHE 3487/4885

“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.