SCHEMBL4140789

SCHEMBL4140789

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 12/20 0.38
CCR1 P32246 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
FDFT1 P37268 1/20 0.33
PI4KB Q9UBF8 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
SCHEMBL4147711 0.99 TRPV4 (0.39) TRPV4CCR1GAAALDH1A1TP53
SCHEMBL4136186 0.86 TRPV4 (0.39) TRPV4CCR1GAATSHR
SCHEMBL4140796 0.84 CNR2 (0.36)
SCHEMBL4139936 0.83 CNR2 (0.37)
SCHEMBL5429673 0.81 CNR2 (0.36)
SCHEMBL5439595 0.81 CNR2 (0.37)
SCHEMBL4152821 0.79 TRPV4 (0.45) TRPV4GAASMN1; SMN2
SCHEMBL4139661 0.79 TRPV4 (0.42) TRPV4GAAALDH1A1TP53HTT
SCHEMBL4140786 0.78 TRPV4 (0.44) TRPV4CCR1METAP2METAP1PI4KB
SCHEMBL4140995 0.77 CCR1 (0.38) CCR1ALDH1A1TP53ALOX15TSHR

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

“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.