SCHEMBL4133487

SCHEMBL4133487

CC(C)C[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
TRPV4 Q9HBA0 3/20 0.40
MAPT P10636 1/20 0.40
SLC6A9 P48067 9/20 0.38
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14605682 0.82 CCR1 (0.43) CCR1TRPV4MAPTSLC6A9FBP1
SCHEMBL4133485 0.78 SLC6A9 (0.37) CCR1TRPV4SLC6A9FBP1
SCHEMBL4139657 0.76 CAPN1 (0.51) CCR1TRPV4MAPTALDH1A1
Hydrochloric Acid SCHEMBL4136148 0.75 TRPV4 (0.46) CCR1TRPV4MAPT
SCHEMBL4135455 0.75 TRPV4 (0.50) TRPV4MAPTALDH1A1
SCHEMBL4140851 0.74 TRPV4 (0.48) TRPV4MAPTALDH1A1
SCHEMBL4136473 0.74 HTT (0.47) TRPV4MAPTALDH1A1
SCHEMBL4136044 0.73 TRPV4 (0.52) CCR1TRPV4
SCHEMBL14605683 0.73 TRPV4 (0.47) CCR1TRPV4
SCHEMBL4132366 0.73 TRPV4 (0.49) CCR1TRPV4MAPT

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 4 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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
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 1/4885MAPT 2159/4885

“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.