SCHEMBL3902902

SCHEMBL3902902

CC(C)(C)OC(=O)NC[C@@H]1CCCc2cc(NCc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.46
NAMPT P43490 1/20 0.42
KDM4C Q9H3R0 6/20 0.41
KDM6B O15054 1/20 0.41
DRD2 P14416 1/20 0.40
HSD17B3 P37058 1/20 0.40

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
SCHEMBL3902907 1.00 HTR6 (0.46) HTR6NAMPTKDM4CKDM6BDRD2
SCHEMBL17361995 0.85 HTR6 (0.48) HTR6DRD2
SCHEMBL17378765 0.81 HTR6 (0.46) HTR6KDM4CKDM6B
SCHEMBL316505 0.80 KDM4C (0.56) HTR6KDM4C
SCHEMBL22744715 0.80 KDM4C (0.57) KDM4CKDM6B
SCHEMBL17362072 0.80 KDM4C (0.57) KDM4CKDM6B
SCHEMBL17361636 0.79 HTR6 (0.49) HTR6DRD2
SCHEMBL316011 0.79 HTR6 (0.49) HTR6DRD2
SCHEMBL316172 0.79 HTR6 (0.49) HTR6DRD2
SCHEMBL316010 0.79 HTR6 (0.49) HTR6DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 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 (1 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B HTR6 1/4885NAMPT 2481/4885KDM4C 4108/4885

“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.