SCHEMBL3973524

SCHEMBL3973524

CC(=O)NC1CCc2cc(SC(C)(C)C(=O)OC(C)(C)C)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.51
MTNR1B P49286 7/20 0.51
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
ACHE P22303 4/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA9 Q16790 1/20 0.39

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
SCHEMBL3974229 0.91 CA1 (0.51) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL3848313 0.86 HTR1D (0.40) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3971946 0.81 OPRK1 (0.46) ACHE
SCHEMBL3975314 0.81 PPARD (0.39)
SCHEMBL3850247 0.81 MTNR1A (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3847526 0.80 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5016614 0.80 CA1 (0.46) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL3851046 0.79 MTNR1A (0.48) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3979277 0.79 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3848326 0.78 PPARD (0.41)

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 MTNR1A 51/4885MTNR1B 104/4885CA1 4769/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD MTNR1A 128/4885MTNR1B 159/4885CA1 4250/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD MTNR1A 51/4885MTNR1B 104/4885CA1 4769/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD MTNR1A 51/4885MTNR1B 104/4885CA1 4769/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD MTNR1A 128/4885MTNR1B 159/4885CA1 4250/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD MTNR1A 418/4885MTNR1B 437/4885CA1 4753/4885

“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.