SCHEMBL3972863

SCHEMBL3972863

COc1ccc2c(c1)CCC(N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
PARP1 P09874 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP24A1 Q07973 2/20 0.43
CYP27A1 Q02318 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
CYP26A1 O43174 2/20 0.43
CYP19A1 P11511 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
SCHEMBL6406234 0.95 DRD2 (0.51) CYP11B2CA1CA2ACHESIGMAR1
SCHEMBL6406230 0.95 DRD2 (0.51) CYP11B2CA1CA2ACHESIGMAR1
SCHEMBL3973868 0.89 HTR2A (0.47) ACHEPARP1HTR2AHTR2CHTR2B
SCHEMBL8765836 0.88 DRD2 (0.46) CA1CA2ACHESIGMAR1DRD2
SCHEMBL8765840 0.88 DRD2 (0.46) CA1CA2ACHESIGMAR1DRD2
SCHEMBL3974203 0.82 ACHE (0.40) CYP11B2CA1CA2ACHEHTR2A
SCHEMBL3974200 0.82 ACHE (0.40) CYP11B2CA1CA2ACHEHTR2A
SCHEMBL3975342 0.80 OPRK1 (0.48) CA1CA2ACHEDRD2DRD3
SCHEMBL8530821 0.75 HTR1D (0.58) ACHEDRD2DRD3ALDH1A1DRD1
SCHEMBL30505848 0.75 ADRA1A (0.48) ACHEPARP1HTR2AHTR2CHTR2B

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 14 patents. 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
US-20060247314-A1 Substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US 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
EP-1569897-A1 SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-07 EP disclosed
EP-1556344-A1 TREATING SYNDROME X WITH SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-27 EP disclosed
EP-1554240-A1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-20 EP 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

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 CYP11B2 254/4885CA1 4769/4885CA2 3706/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD CYP11B2 157/4885CA1 4250/4885CA2 2558/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD CYP11B2 254/4885CA1 4769/4885CA2 3706/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD CYP11B2 254/4885CA1 4769/4885CA2 3706/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD CYP11B2 157/4885CA1 4250/4885CA2 2558/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD CYP11B2 182/4885CA1 4753/4885CA2 3976/4885

“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.