SCHEMBL1546023

SCHEMBL1546023

CCCN(C(=O)OC(C)(C)C)C1Cc2ccc(N(C)S(=O)(=O)c3ccc(C(C)C)cc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.39
MLNR O43193 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
POLB P06746 2/20 0.35
CNR2 P34972 2/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL1546022 1.00 CCR5 (0.39) CCR5MLNRHTR2AHTR2CPOLB
SCHEMBL4101550 0.81 CCR5 (0.35) CCR5MLNRHTR2AHTR2CCNR2
SCHEMBL4101554 0.81 CCR5 (0.35) CCR5MLNRHTR2AHTR2CCNR2
SCHEMBL1546019 0.81 DRD2 (0.35) CCR5MAPT
SCHEMBL1546249 0.74 MLNR (0.42) MLNRHTR2AHTR2CPOLBCNR2
SCHEMBL1546243 0.74 MLNR (0.42) MLNRHTR2AHTR2CPOLBCNR2
SCHEMBL1545190 0.73 ADRA2A (0.37)
SCHEMBL1545188 0.73 ADRA2A (0.37)
SCHEMBL1544809 0.73 NR1H2 (0.42)
SCHEMBL1545283 0.73 ADRA2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311801-A1 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
US-7759397-B2 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-07-20 US disclosed
US-20080318996-A1 6-Amino(Aza)Indane Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO.KG A CORPORATION 2008-12-25 US disclosed
EP-1807392-A1 6-AMINO(AZA)INDANE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECPTOR Abbott GmbH & Co. KG (DE) 2007-07-18 EP disclosed
WO-2006040177-A1 6-AMINO(AZA)INDANE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 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-20080318996-A1 6-Amino(Aza)Indane Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADORA3, NPR3, SLC6A3 CCR5 1109/4885MLNR 590/4885HTR2A 163/4885

“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.