SCHEMBL5383952

SCHEMBL5383952

CC(=O)N(C)[C@@H]1CC[C@@H](CN(C)CCCc2ccc(F)cc2)[C@H](NC(=O)Nc2ccc3c(cnn3C)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.52
TRPV1 Q8NER1 1/20 0.36
CACNA1H O95180 1/20 0.36
EPHX2 P34913 1/20 0.35
MAOB P27338 1/20 0.34
NOTUM Q6P988 1/20 0.34
NAMPT P43490 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5383613 1.00 CCR3 (0.52) CCR3TRPV1CACNA1HEPHX2MAOB
SCHEMBL5383598 1.00 CCR3 (0.52) CCR3TRPV1CACNA1HEPHX2MAOB
SCHEMBL5378265 0.94 CCR3 (0.52) CCR3TRPV1CACNA1HEPHX2MAOB
SCHEMBL5379111 0.94 CCR3 (0.52) CCR3TRPV1CACNA1HEPHX2MAOB
SCHEMBL5381958 0.82 CCR3 (0.55) CCR3
SCHEMBL5373014 0.82 CCR3 (0.55) CCR3
SCHEMBL5379001 0.81 CCR3 (0.80) CCR3
SCHEMBL5383504 0.81 CCR3 (0.80) CCR3
SCHEMBL5393300 0.81 CCR3 (0.80) CCR3
SCHEMBL4792181 0.81 CCR3 (0.49) CCR3MCHR1

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-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 CCR3 18/4885TRPV1 254/4885CACNA1H 2675/4885

“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.