SCHEMBL4142970

SCHEMBL4142970

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
TLR4 O00206 5/20 0.35
ADAM17 P78536 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
BMP1 P13497 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
HSD11B1 P28845 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL4141707 0.99 CCR1 (0.39) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL5429196 0.97 CCR1 (0.40) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL4144076 0.92 CCR1 (0.36) CCR1TLR4ADAM17BMP1HSD11B1
SCHEMBL4140995 0.92 CCR1 (0.38) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL4130817 0.92 CCR1 (0.38) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL4135938 0.89 BMP1 (0.36) CCR1TLR4ADAM17BMP1HSD11B1
SCHEMBL5434779 0.89 CCR1 (0.38) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL5438136 0.89 CCR1 (0.37) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL5434826 0.89 CCR1 (0.37) CCR1TLR4ADAM17NPC1RAB9A
SCHEMBL4141981 0.89 CCR1 (0.37) CCR1TLR4ADAM17NPC1RAB9A

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CCR1 766/4885TLR4 77/4885ADAM17 2364/4885

“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.