SCHEMBL3772057

SCHEMBL3772057

COCCCc1cc2cc(Br)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
OXER1 Q8TDS5 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PTGER4 P35408 1/20 0.34
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16441000 0.80 MCL1 (0.49) MCL1OXER1MAOAMAOBALDH1A1
SCHEMBL16440989 0.76 MCL1 (0.51) MCL1OXER1MAOAMAOBALDH1A1
SCHEMBL14745028 0.75 MCL1 (0.40) MCL1OXER1MAOAMAOBALDH1A1
SCHEMBL2319721 0.74 MCL1 (0.54) MCL1OXER1MAOAMAOBALDH1A1
SCHEMBL31472175 0.72 MCL1 (0.52) MCL1MAOAMAOB
SCHEMBL1050879 0.72 SPR (0.44) DYRK1AALDH1A1PTGER4IDO1POLB
SCHEMBL488994 0.70 HRH3 (0.47)
SCHEMBL489194 0.70 HRH3 (0.47)
SCHEMBL7246243 0.70 NPC1 (0.49) POLB
SCHEMBL1048933 0.70 ADRB2 (0.48) DYRK1AALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851634-B2 5-amino 4-hydroxy-7-(1H-indolmethyl)-8-methylnonamide derivatives as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension NOVARTIS AG (CH) 2008-11-13 US 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-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 MCL1 4079/4885OXER1 92/4885MAOA 192/4885

“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.