SCHEMBL3971915

SCHEMBL3971915

CCC(C(=O)Cl)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10442273 0.78 CA2 (0.38) TSHR
SCHEMBL8743993 0.77 CYP2D6 (0.33) TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL27830812 0.77
SCHEMBL17469430 0.77 CHRM1 (0.35) TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2035661 0.77 CHRM1 (0.35) TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL10442036 0.76 MAPT (0.42) TSHR
SCHEMBL7638052 0.75 CHRM1 (0.33) TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL14534529 0.75 CA1 (0.37) TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL3473720 0.75 CA1 (0.37) TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL4800961 0.75 ALDH1A1 (0.33) TSHR

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 19 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
CN-100354259-C Substituted tetralins and indanes and their use JANSSEN PHARMACEUTICA NV (BE) 2007-12-12 CN disclosed
CN-100349864-C Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA NV (BE) 2007-11-21 CN disclosed
US-20060247314-A1 Substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
CN-1798732-A Substituted tetralins and indanes JANSSEN PHARMACEUTICA NV (BE) 2006-07-05 CN 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
CN-1726188-A Treatment of syndrome X with substituted 1,2,3, 4-tetrahydronaphthalenes and indanes JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN disclosed
CN-1726187-A Substituted tetralins and indanes and their use JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN 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 TSHR 253/4885CYP2D6 3046/4885CYP2C9 2412/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD TSHR 150/4885CYP2D6 1858/4885CYP2C9 910/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD TSHR 253/4885CYP2D6 3046/4885CYP2C9 2412/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD TSHR 253/4885CYP2D6 3046/4885CYP2C9 2412/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD TSHR 150/4885CYP2D6 1858/4885CYP2C9 910/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD TSHR 282/4885CYP2D6 2172/4885CYP2C9 825/4885

“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.