SCHEMBL4655741

SCHEMBL4655741

CN(Cc1ccc(C(=O)O)cc1C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1C Q13936 1/20 0.46
SRD5A2 P31213 2/20 0.39
SLC6A4 P31645 4/20 0.38
HTR2C P28335 3/20 0.38
RXRA P19793 2/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ACE2 Q9BYF1 1/20 0.37
EPHX2 P34913 3/20 0.37
POLQ O75417 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC6A2 P23975 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4656684 0.88 NOTUM (0.47) CACNA1GCACNA1BCACNA1CRXRANR1H2
SCHEMBL15862233 0.87 HTR2C (0.41) CACNA1GCACNA1BCACNA1CSLC6A4HTR2C
SCHEMBL545286 0.84 CACNA1G (0.47) CACNA1GCACNA1BCACNA1CSLC6A4HTR2C
SCHEMBL27811149 0.83 HTR2C (0.39) CACNA1GCACNA1BCACNA1CSLC6A4HTR2C
SCHEMBL4656671 0.82 MLYCD (0.42) SRD5A2SLC6A4RXRANR1H2NR1H3
SCHEMBL3944077 0.81 ALDH1A1 (0.50) SRD5A2SLC6A4ACE2EPHX2POLQ
SCHEMBL20214469 0.80 CACNA1G (0.43) CACNA1GCACNA1BCACNA1C
SCHEMBL6152060 0.78 SLC6A4 (0.40) CACNA1GCACNA1BCACNA1CSRD5A2SLC6A4
SCHEMBL16527941 0.77 DDR1 (0.51)
SCHEMBL16527988 0.77 DDR1 (0.51)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS CACNA1G 3643/4885CACNA1B 3738/4885CACNA1C 4273/4885

“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.