SCHEMBL3973868

SCHEMBL3973868

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SCN2A Q99250 1/20 0.46
ACHE P22303 1/20 0.46
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
VDR P11473 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.44

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
SCHEMBL3972863 0.89 CYP11B2 (0.48) HTR2AHTR2CHTR2BACHEPARP1
SCHEMBL6406230 0.89 DRD2 (0.51) HTR2AHTR2CHTR2BACHEPARP1
SCHEMBL6406234 0.89 DRD2 (0.51) HTR2AHTR2CHTR2BACHEPARP1
SCHEMBL8765840 0.87 DRD2 (0.46) HTR2AHTR2CHTR2BACHEPARP1
SCHEMBL8765836 0.87 DRD2 (0.46) HTR2AHTR2CHTR2BACHEPARP1
SCHEMBL7281921 0.82 L3MBTL1 (0.34) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL1099201 0.79 HTR2C (0.46) HTR2AHTR2CHTR2BACHEPARP1
SCHEMBL10427160 0.78 ACHE (0.57) HTR2AHTR2CHTR2BSCN2AACHE
SCHEMBL6588410 0.78 CYP2D6 (0.46) PARP1ALDH1A1HPGDKDM4EGAA
SCHEMBL3977324 0.78 CRBN (0.42) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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 HTR2A 1107/4885HTR2C 1914/4885HTR2B 2182/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD HTR2A 1631/4885HTR2C 1751/4885HTR2B 2799/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD HTR2A 1107/4885HTR2C 1914/4885HTR2B 2182/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD HTR2A 1107/4885HTR2C 1914/4885HTR2B 2182/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD HTR2A 1631/4885HTR2C 1751/4885HTR2B 2799/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD HTR2A 1735/4885HTR2C 2093/4885HTR2B 2912/4885

“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.