SCHEMBL4140786

SCHEMBL4140786

CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
BCHE P06276 2/20 0.43
REN P00797 2/20 0.42
CCR1 P32246 1/20 0.41
CAPN1 P07384 2/20 0.41
CTSL P07711 1/20 0.39
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRM1 Q13255 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
NMT2 O60551 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
SCHEMBL4147709 0.99 TRPV4 (0.44) TRPV4BCHERENCCR1CAPN1
SCHEMBL4129767 0.92 CAPN1 (0.47) TRPV4BCHERENCCR1CAPN1
SCHEMBL4130820 0.91 CAPN1 (0.47) TRPV4BCHERENCCR1CAPN1
SCHEMBL5434781 0.86 CAPN1 (0.44) TRPV4BCHERENCCR1CAPN1
SCHEMBL5439623 0.86 CAPN1 (0.47) TRPV4BCHERENCCR1CAPN1
SCHEMBL4131282 0.86 TRPV4 (0.44) TRPV4CCR1CAPN1CTSL
SCHEMBL5434829 0.85 CAPN1 (0.44) TRPV4BCHERENCCR1CAPN1
SCHEMBL4142973 0.83 CAPN1 (0.48) TRPV4BCHERENCCR1CAPN1
SCHEMBL4128166 0.83 CAPN1 (0.46) BCHERENCAPN1CTSLCHRNB2
SCHEMBL4141710 0.82 CAPN1 (0.49) TRPV4BCHERENCCR1CAPN1

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 5 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
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 1/4885BCHE 3689/4885REN 2293/4885

“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.