SCHEMBL6586176

SCHEMBL6586176

COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.59
HTR2C P28335 11/20 0.59
SLC6A4 P31645 10/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
DRD3 P35462 4/20 0.49
DRD2 P14416 3/20 0.49
HTR1A P08908 2/20 0.49
DRD4 P21917 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
KCNH2 Q12809 1/20 0.48
TSHR P16473 1/20 0.48
GSK3B P49841 1/20 0.48

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 0.85 DRD2 (0.56) HTR2AHTR2CSLC6A4MEN1KMT2A
SCHEMBL14341053 0.80 DRD2 (0.55) HTR2AHTR2CSLC6A4USP2ALDH1A1
SCHEMBL6582844 0.80 DRD4 (0.58) HTR2ADRD3DRD2HTR1ADRD4
SCHEMBL6438911 0.79 DRD2 (0.54) MEN1KMT2AUSP2ALDH1A1CYP2C9
SCHEMBL14341055 0.77 DRD2 (0.56) HTR2AHTR2CDRD3DRD2HTR1A
SCHEMBL6582746 0.76 MCHR1 (0.54) HTR2AHTR2CALDH1A1DRD3DRD2
SCHEMBL2216192 0.75 HTR2A (1.00) HTR2AHTR2CSLC6A4DRD3DRD2
SCHEMBL6291661 0.73 ATP6V1B1 (0.78) HTR2AHTR2CSLC6A4MEN1KMT2A
SCHEMBL6291663 0.73 ATP6V1B1 (0.78) HTR2AHTR2CSLC6A4MEN1KMT2A
SCHEMBL6291659 0.73 ATP6V1B1 (0.78) HTR2AHTR2CSLC6A4MEN1KMT2A

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
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications FARINA CARLO (IT) 2004-11-25 US disclosed
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
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 disclosed
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 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 HTR2A 1270/4885HTR2C 581/4885SLC6A4 618/4885

“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.