SCHEMBL4136134

SCHEMBL4136134

CC(C)NC(=O)N(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TRPV4 Q9HBA0 7/20 0.39
CCR1 P32246 1/20 0.38
PTGES O14684 3/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ATM Q13315 1/20 0.35
FABP4 P15090 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ITGA1 P56199 1/20 0.33

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
SCHEMBL4129742 0.84 TRPV4 (0.39) GAATRPV4CCR1PTGESATM
SCHEMBL4134999 0.84 GSTO1 (0.44) GAATRPV4CCR1PTGDRPTGDR2
SCHEMBL4773183 0.83 GAA (0.40) GAATRPV4CCR1PTGESCNR1
SCHEMBL13872455 0.82 ALDH1A1 (0.41) GAATRPV4CCR1ALDH1A1
SCHEMBL4145503 0.81 PTGES (0.41) GAATRPV4PTGESPTGDRPTGDR2
SCHEMBL4136057 0.79 GAA (0.40) GAATRPV4CCR1PTGESCNR1
SCHEMBL4136813 0.79 TRPV4 (0.40) GAATRPV4CCR1PTGDRPTGDR2
SCHEMBL4136055 0.79 GAA (0.40) GAATRPV4CCR1PTGESCNR1
SCHEMBL4134996 0.79 GAA (0.40) GAATRPV4CCR1PTGDRPTGDR2
SCHEMBL4140486 0.79 CCR1 (0.49) CCR1CNR1CNR2ALDH1A1

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 GAA 3715/4885TRPV4 1/4885CCR1 766/4885

“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.