SCHEMBL6580849

SCHEMBL6580849

CCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.53
SLC6A12 P48065 1/20 0.53
SLC6A13 Q9NSD5 1/20 0.53
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
SSTR5 P35346 3/20 0.51
KCNH2 Q12809 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MCHR1 Q99705 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
SSTR1 P30872 1/20 0.49
HRH1 P35367 1/20 0.49
LMNA P02545 1/20 0.49

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
Hydrochloric Acid SCHEMBL6787079 0.99 DRD4 (0.52) DRD4SLC6A12SLC6A13ROCK2ROCK1
SCHEMBL14341052 0.89 HTR4 (0.44) SSTR5KCNH2SSTR1HRH1
SCHEMBL5160953 0.88 IGF1R (0.43) ROCK2ROCK1SSTR5KCNH2SSTR1
SCHEMBL5159689 0.85 KDR (0.45) SMN1; SMN2
SCHEMBL14341049 0.81 EZH2 (0.41) SSTR5KCNH2KMT2AMEN1SMN1; SMN2
SCHEMBL220979 0.80 KMT2A (0.51) KMT2AMEN1
SCHEMBL6580730 0.79 TSHR (0.47) KMT2AMEN1SMN1; SMN2GAALMNA
SCHEMBL6583307 0.79 ACHE (0.44) DRD4KMT2AMCHR1KDM4EALDH1A1
SCHEMBL6582982 0.78 EZH2 (0.56) KMT2AMEN1
SCHEMBL14341048 0.78 MAPT (0.35) SSTR5KCNH2SMN1; SMN2KDM4EALDH1A1

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
US-20070299084-A1 Indole Derivatives Useful for Treating Resistance to Antitumor Agents NIKEM RESE S.R.L. (IT) 2007-12-27 US disclosed
US-20070299084-A1 Indole Derivatives Useful for Treating Resistance to Antitumor Agents NIKEM RESE S.R.L. (IT) 2007-12-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070299084-A1 Indole Derivatives Useful for Treating Resistance to Antitumor Agents IDO1, IDO2, INMT DRD4 1103/4885SLC6A12 3024/4885SLC6A13 1881/4885
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 DRD4 1425/4885SLC6A12 3320/4885SLC6A13 2632/4885

“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.