SCHEMBL3848313

SCHEMBL3848313

CCNC1CCc2cc(SC(C)(C)C(=O)OC(C)(C)C)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
DRD4 P21917 2/20 0.40
ACHE P22303 3/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL3848326 0.91 PPARD (0.41) PPARDPPARA
SCHEMBL13598351 0.91 PPARD (0.41) PPARDPPARA
SCHEMBL3847852 0.91 PPARD (0.41) PPARDPPARA
SCHEMBL3973524 0.86 MTNR1A (0.51) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL3978300 0.81 SIGMAR1 (0.38) HTR1DDRD2DRD3DRD4ACHE
SCHEMBL3971946 0.81 OPRK1 (0.46) DRD2DRD3ACHE
SCHEMBL3975314 0.80 PPARD (0.39) PPARDPPARA
SCHEMBL3849395 0.80 DRD2 (0.45) DRD2DRD3DRD4ACHECA1
SCHEMBL6446082 0.80 PPARD (0.35) PPARDPPARACA1CA2
SCHEMBL3974229 0.78 CA1 (0.51) PPARDPPARACA1CA2MTNR1A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
EP-1554240-B1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2009-05-06 EP disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-7351857-B2 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-01 US disclosed
EP-1745016-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-24 EP 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
WO-2005105737-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 WO disclosed
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-27 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 (9 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 HTR1D 1428/4885HTR1B 1600/4885DRD2 4296/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD HTR1D 2554/4885HTR1B 2168/4885DRD2 3901/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD HTR1D 1428/4885HTR1B 1600/4885DRD2 4296/4885
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES TDO2, ITPA, TTI2 HTR1D 3418/4885HTR1B 2464/4885DRD2 2788/4885
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives TDO2, ITPA, TTI2 HTR1D 3418/4885HTR1B 2464/4885DRD2 2788/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD HTR1D 1428/4885HTR1B 1600/4885DRD2 4296/4885
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives TDO2, TTI2, ITPA HTR1D 3345/4885HTR1B 2334/4885DRD2 2592/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD HTR1D 2554/4885HTR1B 2168/4885DRD2 3901/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD HTR1D 2552/4885HTR1B 2049/4885DRD2 4070/4885

“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.