SCHEMBL3975342

SCHEMBL3975342

O=C1c2ccccc2C(=O)N1C1CCc2cc(O)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
CRBN Q96SW2 2/20 0.44
NOTUM Q6P988 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
CYP26A1 O43174 2/20 0.41
NR3C1 P04150 1/20 0.40
AR P10275 1/20 0.40
CYP19A1 P11511 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD4 P21917 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL3977324 0.88 CRBN (0.42) OPRK1CRBNDRD2DRD3CYP19A1
SCHEMBL3972863 0.80 CYP11B2 (0.48) CA1CA2ACHEDRD2DRD3
SCHEMBL3974195 0.76 ACHE (0.41) CRBNNOTUMCA1CA2ACHE
SCHEMBL3974203 0.75 ACHE (0.40) OPRK1NOTUMCA1CA2ACHE
SCHEMBL3974200 0.75 ACHE (0.40) OPRK1NOTUMCA1CA2ACHE
SCHEMBL1099201 0.75 HTR2C (0.46) CRBNNOTUMACHEL3MBTL1ALDH1A1
SCHEMBL6406234 0.75 DRD2 (0.51) CA1CA2ACHEDRD2DRD3
SCHEMBL6406230 0.75 DRD2 (0.51) CA1CA2ACHEDRD2DRD3
SCHEMBL6387682 0.74 OPRK1 (0.50) OPRK1CA1CA2ACHEDRD2
SCHEMBL18983710 0.74 OPRK1 (0.50) OPRK1CA1CA2ACHEDRD2

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 OPRK1 1822/4885CRBN 1802/4885NOTUM 3401/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD OPRK1 1671/4885CRBN 1552/4885NOTUM 1842/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD OPRK1 1822/4885CRBN 1802/4885NOTUM 3401/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD OPRK1 1822/4885CRBN 1802/4885NOTUM 3401/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD OPRK1 1671/4885CRBN 1552/4885NOTUM 1842/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD OPRK1 2634/4885CRBN 1047/4885NOTUM 724/4885

“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.