SCHEMBL4133715

SCHEMBL4133715

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)C1=CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
ADAM17 P78536 1/20 0.34
BMP1 P13497 1/20 0.34
TLR4 O00206 5/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
PIK3CA P42336 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNA5 P22460 1/20 0.31
SGK1 O00141 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL4136298 0.83 CCR1 (0.38) CCR1ADAM17BMP1TLR4ATM
SCHEMBL4130817 0.81 CCR1 (0.38) CCR1ADAM17BMP1TLR4ATM
SCHEMBL4141257 0.81 CCR1 (0.41) CCR1ADAM17BMP1TP53TRPV4
SCHEMBL4141707 0.81 CCR1 (0.39) CCR1ADAM17BMP1TLR4TRPV4
SCHEMBL4140995 0.81 CCR1 (0.38) CCR1ADAM17BMP1TLR4ATM
SCHEMBL4145546 0.81 CCR1 (0.35) CCR1ADAM17BMP1LMNATP53
SCHEMBL4127283 0.81 EPHX2 (0.42) CCR1ADAM17BMP1LMNAPIK3CA
SCHEMBL4142970 0.81 CCR1 (0.39) CCR1ADAM17BMP1TLR4TRPV4
SCHEMBL5434632 0.80 CCR1 (0.39) CCR1ADAM17BMP1TLR4ATM
SCHEMBL4136152 0.79 BMP1 (0.39) CCR1ADAM17BMP1ATMTRPV4

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 766/4885ADAM17 2364/4885BMP1 2172/4885

“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.