SCHEMBL4667241

SCHEMBL4667241

C/C(=N\C(=O)c1ccc(F)cc1F)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.44
ACKR3 P25106 2/20 0.41
GPR6 P46095 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4667244 1.00 CES2 (0.50) CES2CES1KMT2AHTTACKR3
SCHEMBL2523847 0.81 F2R (0.37) CES2CES1KMT2AHTT
SCHEMBL2523845 0.81 F2R (0.37) CES2CES1KMT2AHTT
SCHEMBL642910 0.75 CES2 (0.61) CES2CES1KMT2AHTTACKR3
Hydrochloric Acid SCHEMBL8393448 0.75 CES2 (0.55) CES2CES1
SCHEMBL1619995 0.74 CES2 (0.50) CES2CES1KMT2AHTTACKR3
SCHEMBL11570 0.73 CES2 (0.68) CES2CES1KMT2AHTTL3MBTL1
SCHEMBL29372550 0.73 CES2 (0.68) CES2CES1KMT2AHTTL3MBTL1
SCHEMBL21104626 0.71 CES2 (0.45) CES2CES1KMT2AMEN1
SCHEMBL6070552 0.71 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 CES2 1836/4885CES1 3289/4885KMT2A 819/4885

“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.