SCHEMBL4132366

SCHEMBL4132366

CC(C)C[C@H](NC(=O)c1cn2ncccc2n1)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.49
CTSL P07711 4/20 0.40
CAPN1 P07384 2/20 0.38
CNR2 P34972 4/20 0.38
NTSR1 P30989 4/20 0.38
CTSS P25774 3/20 0.37
CTSK P43235 3/20 0.37
CCR1 P32246 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4127971 0.88 TRPV4 (0.49) TRPV4CTSLCAPN1MAPT
SCHEMBL13872514 0.88 TRPV4 (0.49) TRPV4CTSLCAPN1MAPT
SCHEMBL14605683 0.82 TRPV4 (0.47) TRPV4CTSLCAPN1CNR2NTSR1
SCHEMBL13872524 0.82 TRPV4 (0.47) TRPV4CTSLCAPN1CNR2NTSR1
SCHEMBL4132372 0.82 TRPV4 (0.47) TRPV4CTSLCAPN1CNR2NTSR1
SCHEMBL4127488 0.78 TRPV4 (0.76) TRPV4CTSLCTSSCTSK
SCHEMBL4127926 0.78 TRPV4 (0.76) TRPV4CTSLCTSSCTSK
SCHEMBL4136044 0.78 TRPV4 (0.52) TRPV4CTSLCTSSCTSKCCR1
SCHEMBL4129714 0.77 TRPV4 (0.60) TRPV4CTSLCAPN1CNR2CTSS
SCHEMBL4139857 0.77 TRPV4 (0.55) TRPV4CTSLCTSSCTSK

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 3 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
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 1/4885CTSL 3815/4885CAPN1 2031/4885

“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.