SCHEMBL623744

SCHEMBL623744

Cc1ccn(-c2ccccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1.OC(c1ccccc1Br)C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.73
TPH2 Q8IWU9 11/20 0.73
ADORA3 P0DMS8 2/20 0.72
SLC6A2 P23975 2/20 0.72
AGTR1 P30556 2/20 0.72
SLC6A4 P31645 2/20 0.72
CCKAR P32238 2/20 0.72
SLC6A3 Q01959 2/20 0.72
F2 P00734 1/20 0.72
ESR1 P03372 1/20 0.72
DRD1 P21728 1/20 0.72
PTGS1 P23219 1/20 0.72
PTGS2 P35354 1/20 0.72
DRD3 P35462 1/20 0.72
MLNR O43193 1/20 0.63
NR3C1 P04150 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
MC3R P41968 1/20 0.63
HTR3A P46098 1/20 0.63

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
SCHEMBL612607 0.93 TPH1 (0.83) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL18516551 0.93 TPH1 (0.83) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL869896 0.93 TPH1 (0.83) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL612608 0.93 TPH1 (0.83) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL610965 0.86 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL610967 0.86 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL610966 0.86 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL870564 0.85 TPH1 (0.72) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL27726658 0.85 TPH1 (0.72) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL613770 0.85 TPH1 (0.78) TPH1TPH2ADORA3SLC6A2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041008-A1 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds and Methods of Their Use TERSERA THERAPEUTICS LLC 2012-02-16 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-20120041008-A1 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds and Methods of Their Use TPMT, DPYD, TYMP TPH1 487/4885TPH2 379/4885ADORA3 1633/4885

“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.