SCHEMBL6752425

SCHEMBL6752425

CC(OC#N)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AOC3 Q16853 1/20 0.44
ADRA2A P08913 6/20 0.41
ADRA2B P18089 6/20 0.41
ADRA2C P18825 6/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A4 P31645 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL12061505 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL12061510 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL10416031 0.82 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL8762226 0.82 GABRA1 (0.36) ALDH1A1CYP1A2CA1CA2
SCHEMBL25887 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL11672371 0.80 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL6248166 0.80 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL29170899 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL17789903 0.78 AOC3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL15669160 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3

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-8183415-B2 Methods of synthesizing cinacalcet and salts thereof AMGEN, INC. (US) 2012-05-22 US disclosed
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2011-11-17 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-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN ALDH1A1 1814/4885CYP1A2 2370/4885CYP2C9 350/4885

“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.