SCHEMBL4135486

SCHEMBL4135486

CC(C)C[C@@H](CNCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
TRPV4 Q9HBA0 10/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP4 P15090 1/20 0.39
CTSL P07711 1/20 0.38
ITGAV P06756 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL14606011 0.88 CCR1 (0.39) CCR1TRPV4ATMGAACTSL
SCHEMBL4132204 0.88 MAPK1 (0.45) CCR1TRPV4ATMMEN1KMT2A
SCHEMBL4132203 0.88 MAPK1 (0.45) CCR1TRPV4ATMMEN1KMT2A
SCHEMBL13872499 0.87 AAK1 (0.46) CCR1TRPV4ATMGAATSHR
SCHEMBL14605688 0.85 TRPV4 (0.41) CCR1TRPV4GAAMEN1KMT2A
SCHEMBL4768147 0.84 CCR1 (0.42) CCR1TRPV4ATMGAAFABP4
SCHEMBL14606018 0.84 RAB9A (0.42) CCR1TRPV4MEN1TSHRKMT2A
SCHEMBL14605593 0.83 RAB9A (0.42) CCR1MEN1TSHRKMT2ACNR1
SCHEMBL14606012 0.83 ITGAV (0.41) CCR1TRPV4ATMGAAITGAV
SCHEMBL14605858 0.82 MAPT (0.39) CCR1TRPV4GAA

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 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 766/4885TRPV4 1/4885ATM 4509/4885

“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.