SCHEMBL3973850

SCHEMBL3973850

CN(C)C(=S)Oc1ccc2c(c1)CC(N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.34
NR1I2 O75469 1/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
OPRK1 P41145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 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
SCHEMBL3974200 0.91 ACHE (0.40) ACHEL3MBTL1LMNANR1I2MAOA
SCHEMBL3974203 0.91 ACHE (0.40) ACHEL3MBTL1LMNANR1I2MAOA
SCHEMBL3973868 0.80 HTR2A (0.47) ACHEL3MBTL1HTR2AALDH1A1MAPT
SCHEMBL3980092 0.74 ACHE (0.56) ACHELMNANR1I2MAOAHTR2A
SCHEMBL7281921 0.74 L3MBTL1 (0.34) L3MBTL1HTR2AALDH1A1TSHR
SCHEMBL3977717 0.73 ALDH1A1 (0.39) ACHEL3MBTL1HTR2AALDH1A1SMN1; SMN2
SCHEMBL3977324 0.73 CRBN (0.42) L3MBTL1LMNAMAOAOPRK1ALDH1A1
SCHEMBL1099201 0.72 HTR2C (0.46) ACHEL3MBTL1HTR2AALDH1A1PARP1
SCHEMBL3972863 0.71 CYP11B2 (0.48) ACHEHTR2AALDH1A1PARP1
SCHEMBL6406230 0.71 DRD2 (0.51) ACHEHTR2AALDH1A1PARP1

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 ACHE 4405/4885L3MBTL1 3840/4885LMNA 2061/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 4010/4885L3MBTL1 4440/4885LMNA 3361/4885
US-20040171680-A1 Treating Syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD ACHE 4405/4885L3MBTL1 3840/4885LMNA 2061/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD ACHE 4405/4885L3MBTL1 3840/4885LMNA 2061/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 4010/4885L3MBTL1 4440/4885LMNA 3361/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 3487/4885L3MBTL1 3643/4885LMNA 2222/4885

“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.