SCHEMBL4140995

SCHEMBL4140995

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)CCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADAM17 P78536 1/20 0.36
TLR4 O00206 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
EPHX2 P34913 1/20 0.34
BMP1 P13497 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRL1 P41146 3/20 0.33
PI4KB Q9UBF8 1/20 0.32
KLK7 P49862 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
SCHEMBL4130817 0.99 CCR1 (0.38) CCR1ALDH1A1TP53ALOX15TSHR
SCHEMBL5434779 0.94 CCR1 (0.38) CCR1ALDH1A1TP53ALOX15TSHR
SCHEMBL5439621 0.94 CCR1 (0.38) CCR1ALDH1A1TP53ALOX15TSHR
SCHEMBL5438136 0.93 CCR1 (0.37) CCR1ALDH1A1TP53ALOX15TSHR
SCHEMBL5434826 0.93 CCR1 (0.37) CCR1ALDH1A1TP53ALOX15TSHR
SCHEMBL4142970 0.92 CCR1 (0.39) CCR1ADAM17TLR4NPC1RAB9A
SCHEMBL4141707 0.92 CCR1 (0.39) CCR1ADAM17TLR4NPC1RAB9A
SCHEMBL5429196 0.89 CCR1 (0.40) CCR1ADAM17TLR4NPC1RAB9A
SCHEMBL4128183 0.89 CCR1 (0.37) CCR1ADAM17TLR4NPC1RAB9A
SCHEMBL4141981 0.87 CCR1 (0.37) CCR1ADAM17TLR4NPC1RAB9A

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 1 patent. 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

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 766/4885ALDH1A1 1565/4885TP53 4387/4885

“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.