SCHEMBL4241304

SCHEMBL4241304

COC(=O)/C=C/c1ccc(N(Cc2cc(C#N)ccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C9 P11712 5/20 0.45
GPR119 Q8TDV5 11/20 0.44
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL4241306 1.00 PGR (0.45) PGRCYP2D6CYP2C9GPR119NR1H4
SCHEMBL4243356 0.83 CCR5 (0.45) PGRCYP2D6CYP2C9NR1H4
SCHEMBL4243359 0.83 CCR5 (0.45) PGRCYP2D6CYP2C9NR1H4
SCHEMBL4242924 0.83 GPR119 (0.48) PGRCYP2D6CYP2C9GPR119MEN1
SCHEMBL4586039 0.82 PGR (0.40) PGRCYP2D6CYP2C9NR1H4
SCHEMBL4244992 0.79 SLC6A2 (0.50) PGRCYP2D6CYP2C9GPR119
SCHEMBL4241224 0.76 CCR5 (0.56)
SCHEMBL4241217 0.76 CCR5 (0.56)
SCHEMBL4586706 0.76 CCR5 (0.40) PGRCYP2D6CYP2C9NR1H4
SCHEMBL14270985 0.70 GPR119 (0.58) GPR119

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 PGR 976/4885CYP2D6 3964/4885CYP2C9 4329/4885

“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.