SCHEMBL6767206

SCHEMBL6767206

CCCN(CCOc1ccc(N)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4890440 0.81 ADRB3 (0.40) CYP1A2ALDH1A1KDM4ETP53POLB
SCHEMBL1027194 0.79 KDM4E (0.36) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL27957342 0.78 CYP2D6 (0.42) THRATHRBCYP1A2CYP2D6SCN1A
SCHEMBL16682335 0.75 TDP1 (0.41) ALDH1A1KDM4EPOLBSSTR4KCNH2
SCHEMBL2596242 0.74 RIPK1 (0.38) CYP1A2ALDH1A1KDM4ETP53MAPT
SCHEMBL8770380 0.74 AAK1 (0.40) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL1027137 0.74 SSTR4 (0.34) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6764285 0.73 LMNA (0.37) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL17048160 0.72 GAA (0.66) THRATHRBCYP1A2CYP2D6SCN1A
SCHEMBL21601459 0.72 PDK2 (0.47) THRATHRBALDH1A1KDM4EMEN1

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-20040220253-A1 Synthesis of pyrrole amides PFIZER INC. 2004-11-04 US disclosed
EP-1339681-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES Pfizer Products Inc. (US) 2003-09-03 EP disclosed
US-20020151718-A1 Synthesis of pyrrole amides PFIZER INC. 2002-10-17 US disclosed
WO-2002046155-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES PFIZER PRODUCTS INC. (US) 2002-06-13 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-20040220253-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 THRA 280/4885THRB 504/4885CYP1A2 491/4885
US-20020151718-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 THRA 280/4885THRB 504/4885CYP1A2 491/4885

“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.