SCHEMBL3980092

SCHEMBL3980092

CN(C)C(=S)Oc1ccc2c(c1)CC(N)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.56
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
FYN P06241 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL20342343 0.78 ACHE (0.52) ACHEDRD2DRD3CA1CA2
SCHEMBL10585452 0.76 ACHE (0.56) ACHEDRD2DRD3CA1CA2
SCHEMBL4422214 0.75 ACHE (0.70) ACHE
Hydrochloric Acid SCHEMBL4784885 0.75 ACHE (0.55) ACHEDRD2DRD3CA1CA2
Hydrochloric Acid SCHEMBL333576 0.74 ACHE (0.72) ACHE
SCHEMBL3973850 0.74 ACHE (0.38) ACHENR1I2LMNAMAOAHTR2A
SCHEMBL30579427 0.73 DRD2 (0.74) ACHEDRD2DRD3CA1CA2
SCHEMBL20542100 0.73 DRD2 (0.74) ACHEDRD2DRD3CA1CA2
SCHEMBL20541972 0.73 DRD2 (0.74) ACHEDRD2DRD3CA1CA2
SCHEMBL295336 0.73 DRD2 (0.74) ACHEDRD2DRD3CA1CA2

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 12 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-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-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 (4 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 4405/4885DRD2 4296/4885DRD3 3931/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 4010/4885DRD2 3901/4885DRD3 3601/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD ACHE 4405/4885DRD2 4296/4885DRD3 3931/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 4010/4885DRD2 3901/4885DRD3 3601/4885

“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.