SCHEMBL3858044

SCHEMBL3858044

COc1cc2c(cc1SSc1cc3c(cc1OC)CC(NC(C)=O)CC3)CCC(NC(C)=O)C2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.60
MTNR1B P49286 8/20 0.60
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ACHE P22303 3/20 0.44
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL3847526 0.83 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11040374 0.83 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3848346 0.83 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11042137 0.79 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3848918 0.79 MTNR1A (0.59) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3975748 0.75 MTNR1A (0.90) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3854031 0.75 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9731034 0.74 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL21798809 0.74 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11960204 0.74 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE

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
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
EP-1745016-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-24 EP disclosed
WO-2005105737-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 WO disclosed
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-27 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 (3 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-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES TDO2, ITPA, TTI2 MTNR1A 4194/4885MTNR1B 3845/4885CA1 1674/4885
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives TDO2, ITPA, TTI2 MTNR1A 4194/4885MTNR1B 3845/4885CA1 1674/4885
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives TDO2, TTI2, ITPA MTNR1A 4200/4885MTNR1B 3824/4885CA1 1595/4885

“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.