SCHEMBL6813375

SCHEMBL6813375

C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.64
HDAC3 O15379 1/20 0.57
CYP2C9 P11712 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
ADRA2C P18825 2/20 0.53
SLC6A2 P23975 2/20 0.53
HTR2C P28335 2/20 0.53
SLC6A4 P31645 2/20 0.53
OPRM1 P35372 2/20 0.53
DRD3 P35462 2/20 0.53
CASR P41180 2/20 0.53
HTT P42858 2/20 0.53
GPR139 Q6DWJ6 1/20 0.53
KCNJ11 Q14654 1/20 0.53
MLNR O43193 1/20 0.53

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
SCHEMBL6813377 1.00 NPSR1 (0.64) NPSR1HDAC3CYP2C9HDAC1HDAC6
SCHEMBL3764435 0.87 RHOC (0.55) NPSR1HDAC3CYP2C9HDAC1HDAC6
SCHEMBL3771503 0.87 RHOC (0.55) NPSR1HDAC3CYP2C9HDAC1HDAC6
SCHEMBL2787173 0.84 CASR (0.55) NPSR1HDAC3CYP2C9HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL29494217 0.84 HDAC3 (0.63) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL27697998 0.83 LMNA (0.64) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL14484271 0.83 LMNA (0.64) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL30261133 0.83 LMNA (0.64) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL29494542 0.83 KMT2A (0.56) NPSR1LMNAGAACASRHTT
SCHEMBL30083276 0.82 LMNA (0.57) HDAC3CYP2C9HDAC1HDAC6LMNA

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 4 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
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 NPSR1 1797/4885HDAC3 2353/4885CYP2C9 350/4885
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN NPSR1 1797/4885HDAC3 2353/4885CYP2C9 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.