SCHEMBL6701653

SCHEMBL6701653

CC(C)(C)c1ccc(CC(CN2Cc3ccccc3NCC2=O)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
CYP19A1 P11511 2/20 0.34
ACHE P22303 1/20 0.34
EPHX1 P07099 5/20 0.33
DRD2 P14416 2/20 0.33
KCNH2 Q12809 2/20 0.33
DRD3 P35462 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE4D Q08499 1/20 0.33
GHSR Q92847 1/20 0.33
HPGD P15428 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
SCHEMBL6697422 0.81 HPGD (0.31) ACHEHPGD
SCHEMBL7255595 0.81 HPGD (0.32) HPGDHDAC6
SCHEMBL5193422 0.74 BRPF1 (0.43) ACHEOPRK1BRPF1TSHR
SCHEMBL6694526 0.72 HPGD (0.31) HPGD
SCHEMBL6695842 0.71 HPGD (0.34) LMNAHPGDPOLBHTT
SCHEMBL5193417 0.70 GSK3A (0.51) ACHEKCNH2DRD3HPGDPOLB
SCHEMBL5193966 0.68 ACHE (0.47) ACHEDRD2DRD3HTR2AHTR2C
SCHEMBL5191281 0.68 BRPF1 (0.47) ACHEDRD2DRD3HTR2CHTR2B
SCHEMBL5191836 0.67 ITGB3 (0.52) ACHEPOLBBRPF1TSHR
SCHEMBL5178081 0.66 EPHX1 (0.47) RENCYP19A1EPHX1KCNH2LMNA

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-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase BRISTOL-MYERS COMPANY 2004-01-15 US disclosed
WO-2003106628-A2 BENZODIAZEPINE INHIBITORS OF MITOCHONDIAL F1F0 ATP HYDROLASE AND METHODS OF INHIBITING F1F0 ATP HYDROLASE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-24 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-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase MT-ATP6, MT-CO1, ATP5ME REN 3221/4885CYP19A1 921/4885ACHE 1386/4885

“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.