SCHEMBL6582760

SCHEMBL6582760

COc1cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 1/20 0.57
DRD2 P14416 8/20 0.52
DRD3 P35462 5/20 0.52
DRD4 P21917 5/20 0.52
HTR1A P08908 4/20 0.49
ADRA2A P08913 4/20 0.49
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
DRD1 P21728 2/20 0.46
ADRA1D P25100 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR2B P41595 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6438021 0.88 DRD2 (0.56) DRD2DRD3DRD4CYP2C9HTR2A
SCHEMBL5648781 0.87 DRD2 (0.51) ATP6V1B1DRD2DRD3DRD4HTR1A
SCHEMBL6582844 0.87 DRD4 (0.58) DRD2DRD3DRD4HTR1ACYP2D6
SCHEMBL6438911 0.87 DRD2 (0.54) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL14341055 0.84 DRD2 (0.56) DRD2DRD3DRD4HTR1ACYP2D6
SCHEMBL14341053 0.83 DRD2 (0.55) DRD2DRD3DRD4HTR2AHTR2C
SCHEMBL5648705 0.78 ATP6V1B1 (0.49) ATP6V1B1DRD2DRD3DRD4HTR1A
SCHEMBL6438922 0.76 PRMT5 (0.52) ATP6V1B1DRD2DRD3DRD4ADRA2A
SCHEMBL6583307 0.75 ACHE (0.44) DRD2DRD3DRD4KMT2A
SCHEMBL5652239 0.75 CYP2D6 (0.61) CYP2D6CYP2C9MEN1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications FARINA CARLO (IT) 2004-11-25 US claimed
EP-1212317-B1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS NIKEM RESEARCH SRL (IT) 2004-09-15 EP claimed
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US claimed
EP-1212317-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GlaxoSmithKline S.p.A. (IT) 2002-06-12 EP claimed
WO-2001002388-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GLAXOSMITHKLINE S.P.A. (IT) 2001-01-11 WO claimed
EP-1212317-B1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS NIKEM RESEARCH SRL (IT) 2004-09-15 EP disclosed
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US disclosed
WO-2002032916-A2 SIXTEEN-MEMBERED MACROLIDE COMPOUNDS KOSAN BIOSCIENCES, INC. (US) 2002-04-25 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-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 ATP6V1B1 401/4885DRD2 1893/4885DRD3 1345/4885

“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.