SCHEMBL3974200

SCHEMBL3974200

CN(C)C(=S)Oc1ccc2c(c1)CC[C@H](N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.40
MCHR1 Q99705 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
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
L3MBTL1 Q9Y468 1/20 0.36
CYP11B2 P19099 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL3974203 1.00 ACHE (0.40) ACHEMCHR1CA1CA2NR1I2
SCHEMBL3973850 0.91 ACHE (0.38) ACHEMCHR1NR1I2LMNAMAOA
SCHEMBL3972863 0.82 CYP11B2 (0.48) ACHECA1CA2HTR2ACYP11B2
SCHEMBL6406234 0.77 DRD2 (0.51) ACHECA1CA2HTR2ACYP11B2
SCHEMBL6406230 0.77 DRD2 (0.51) ACHECA1CA2HTR2ACYP11B2
SCHEMBL3975342 0.75 OPRK1 (0.48) ACHECA1CA2OPRK1L3MBTL1
SCHEMBL3974195 0.75 ACHE (0.41) ACHECA1CA2L3MBTL1NOTUM
SCHEMBL3973868 0.71 HTR2A (0.47) ACHEHTR2AL3MBTL1
SCHEMBL8765840 0.71 DRD2 (0.46) ACHECA1CA2HTR2A
SCHEMBL8765836 0.71 DRD2 (0.46) ACHECA1CA2HTR2A

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 6 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
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

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 4405/4885MCHR1 2983/4885CA1 4769/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 4010/4885MCHR1 3912/4885CA1 4250/4885
US-20040162352-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD ACHE 4405/4885MCHR1 2983/4885CA1 4769/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD ACHE 4010/4885MCHR1 3912/4885CA1 4250/4885

“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.