SCHEMBL4558717

SCHEMBL4558717

[CH2]C(=O)Cc1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
LMNA P02545 1/20 0.51
MEP1A Q16819 1/20 0.50
MEP1B Q16820 1/20 0.50
MAPK8 P45983 1/20 0.49
GLA P06280 1/20 0.47
GSK3B P49841 2/20 0.47
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
FOLH1 Q04609 1/20 0.47
VNN1 O95497 2/20 0.45
GLS O94925 1/20 0.44
CNR1 P21554 1/20 0.44
IDH1 O75874 1/20 0.43
EPHX1 P07099 1/20 0.43
PARP14 Q460N5 1/20 0.43
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL15961772 0.85 ERCC1 (0.55) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL335418 0.84 LMNA (0.56) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL200244 0.82 ERCC1 (0.52) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL6714330 0.82 ERCC1 (0.52) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL6714339 0.82 MAPK8 (0.56) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL3018613 0.82 ERCC1 (0.52) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL30860058 0.82 ERCC1 (0.52) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL30489963 0.82 MAPK8 (0.56) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL3010497 0.79 ERCC1 (0.50) ERCC1ERCC4LMNAMEP1AMEP1B
SCHEMBL28138901 0.79 ERCC1 (0.50) ERCC1ERCC4LMNAMEP1AMEP1B

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
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 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-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ACKR3, CCR7, CCR2 ERCC1 2289/4885ERCC4 2264/4885LMNA 2879/4885

“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.