SCHEMBL1331699

SCHEMBL1331699

CC(NCl)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CASR P41180 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
LTC4S Q16873 2/20 0.48
SSTR4 P31391 1/20 0.47
SLC6A4 P31645 1/20 0.45

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
SCHEMBL19286310 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL12871845 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL15540540 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL1252229 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL1253481 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL31085545 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
Hydrochloric Acid SCHEMBL607851 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL178500 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL25453200 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL13302605 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CASR

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-8183415-B2 Methods of synthesizing cinacalcet and salts thereof AMGEN, INC. (US) 2012-05-22 US disclosed
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
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2011-11-17 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
WO-2009002427-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. (US) 2008-12-31 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 (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-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN ALDH1A1 1814/4885CYP1A2 2370/4885CYP2C9 350/4885
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.