SCHEMBL4136296

SCHEMBL4136296

CC(C)C[C@H](NC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC(=O)NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.39
PPARG P37231 1/20 0.39
ATM Q13315 1/20 0.39
TRPV4 Q9HBA0 3/20 0.38
CNR1 P21554 2/20 0.37
TMPRSS2 O15393 1/20 0.37
F10 P00742 1/20 0.37
PLAU P00749 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4131127 0.88 RAB9A (0.39) RAB9AMAPK1PPARGTRPV4CNR1
SCHEMBL4135639 0.81 TRPV4 (0.45) TRPV4
SCHEMBL5430207 0.80 RAB9A (0.41) RAB9ANPC1PPARGTRPV4CNR1
SCHEMBL4131282 0.79 TRPV4 (0.44) RAB9APPARGTRPV4PTGDRPTGDR2
SCHEMBL14605593 0.77 RAB9A (0.42) RAB9ANPC1PPARGCNR1PTGDR
SCHEMBL4152609 0.76 TRPV4 (0.40) RAB9ATRPV4CNR1PTGDRPTGDR2
SCHEMBL4768355 0.76 RAB9A (0.46) RAB9ANPC1PPARGTRPV4CNR1
SCHEMBL14606018 0.76 RAB9A (0.42) RAB9ANPC1PPARGTRPV4CNR1
SCHEMBL4135643 0.74 TRPV4 (0.47) TRPV4
SCHEMBL3915576 0.72 RAB9A (0.42) RAB9AATMTRPV4MEN1KMT2A

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 RAB9A 3595/4885MAPK1 1486/4885NPC1 1110/4885

“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.