SCHEMBL3772060

SCHEMBL3772060

COC(Br)CCc1ccc2c(ccn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
CHRNA7 P36544 8/20 0.39
CYP2A6 P11509 1/20 0.39
CYP19A1 P11511 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TRPA1 O75762 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL24435113 0.80 PRKCI (0.47) PRKCICHRNA7CYP2A6CYP19A1TRPA1
SCHEMBL18876154 0.75 PRKCI (0.52) PRKCICHRNA7CYP2A6CYP19A1HCRTR1
SCHEMBL27672700 0.75 PRKCI (0.45) PRKCICHRNA7CYP2A6HCRTR1HCRTR2
SCHEMBL14402849 0.73 PRKCI (0.50) PRKCICHRNA7CYP2A6HCRTR1HCRTR2
SCHEMBL30046101 0.73 PRKCI (0.50) PRKCICHRNA7CYP2A6CYP19A1TRPA1
SCHEMBL20562931 0.73 PRKCI (0.59) PRKCICHRNA7CYP2A6HCRTR1HCRTR2
SCHEMBL17504841 0.73 PRKCI (0.50) PRKCICHRNA7CYP2A6HCRTR1HCRTR2
SCHEMBL28909178 0.73 PRKCI (0.50) PRKCICHRNA7CYP2A6CYP19A1TRPA1
SCHEMBL6965209 0.73 PRKCI (0.53) PRKCICHRNA7CYP2A6TUBB4ATUBB
SCHEMBL25186563 0.72 GRIK1 (0.48) PRKCICHRNA7CYP2A6CACNA1H

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 PRKCI 1470/4885CHRNA7 244/4885CYP2A6 131/4885

“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.