SCHEMBL4135980

SCHEMBL4135980

CC(C)C[C@@H](CN(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)C)NC(=O)NC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
CCR1 P32246 2/20 0.34
RAB9A P51151 1/20 0.34
F10 P00742 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
GAA P10253 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
EPHX2 P34913 5/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
TMPRSS2 O15393 1/20 0.31
PLAU P00749 1/20 0.31
TMPRSS6 Q8IU80 1/20 0.31
DDR1 Q08345 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
NPY1R P25929 1/20 0.31

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
SCHEMBL4135985 1.00 CNR1 (0.38) CNR1CNR2CCR1RAB9AF10
SCHEMBL4131620 0.90 RAB9A (0.40) CCR1RAB9AGAATRPV4CYP2C19
SCHEMBL4131622 0.90 RAB9A (0.40) CCR1RAB9AGAATRPV4CYP2C19
SCHEMBL4135303 0.89 CNR1 (0.36) CNR1CNR2CCR1F10ST14
SCHEMBL4135309 0.89 CNR1 (0.36) CNR1CNR2CCR1F10ST14
SCHEMBL4136028 0.89 RAB9A (0.40) CNR1CCR1RAB9AGAATRPV4
SCHEMBL4136024 0.89 RAB9A (0.40) CNR1CCR1RAB9AGAATRPV4
SCHEMBL14605859 0.86 CNR1 (0.41) CNR1CNR2CCR1RAB9AF10
SCHEMBL4136057 0.83 GAA (0.40) CNR1CNR2CCR1RAB9AGAA
SCHEMBL4136055 0.83 GAA (0.40) CNR1CNR2CCR1RAB9AGAA

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 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 CNR1 67/4885CNR2 57/4885CCR1 766/4885

“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.