SCHEMBL805257

SCHEMBL805257

C=CC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
CES2 O00748 2/20 0.51
ACP3 P15309 2/20 0.47
MGLL Q99685 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GRIN2B Q13224 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL1712441 0.82 PNMT (0.56) PNMTCES2ACP3MGLLMRGPRX1
SCHEMBL16957413 0.81 PNMT (0.50) PNMTCES2ACP3MGLLIDO1
SCHEMBL9814678 0.80 PGK1 (0.41) TSHRMAPK1LMNATP53
SCHEMBL27743204 0.79 PNMT (0.61) PNMTCES2ACP3MGLLIDO1
SCHEMBL799866 0.79 PNMT (0.53) PNMTCES2ACP3MGLLMRGPRX1
SCHEMBL19388859 0.79 PNMT (0.53) PNMTCES2ACP3MGLLMRGPRX1
SCHEMBL4135956 0.79 PNMT (0.65) PNMTCES2ACP3MGLLIDO1
SCHEMBL13855359 0.79 PNMT (0.47) PNMTCES2ACP3IDO1TDO2
SCHEMBL1505949 0.79 PNMT (0.47) PNMTCES2ACP3MGLLIDO1
SCHEMBL7626469 0.77 PNMT (0.62) PNMTCES2ACP3MGLLIDO1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US claimed
US-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-14 US disclosed
US-9771592-B2 Methods and compositions for treating or preventing pruritis THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
EP-2170805-B1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC (US) 2016-03-16 EP disclosed
EP-2170805-B1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC (US) 2016-03-16 EP disclosed
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-09 US disclosed
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
WO-2009002427-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. (US) 2008-12-31 WO disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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 (8 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PNMT 4431/4885CES2 3062/4885ACP3 3365/4885
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 PNMT 4587/4885CES2 630/4885ACP3 776/4885
US-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 PNMT 1237/4885CES2 555/4885ACP3 357/4885
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MRGPRX1, MRGPRX2, MRGPRX4 PNMT 1808/4885CES2 3736/4885ACP3 4056/4885
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 PNMT 1237/4885CES2 555/4885ACP3 357/4885
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN PNMT 4502/4885CES2 233/4885ACP3 362/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 PNMT 4431/4885CES2 3062/4885ACP3 3365/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PNMT 4431/4885CES2 3062/4885ACP3 3365/4885

“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.