SCHEMBL4136806

SCHEMBL4136806

CC(C)C[C@@H](CN(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)C)NC(=O)Nc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.38
IDH1 O75874 1/20 0.36
TRPV4 Q9HBA0 2/20 0.36
CCKBR P32239 3/20 0.35
GAA P10253 1/20 0.35
CCR1 P32246 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
ADAM17 P78536 1/20 0.34
MAPK1 P28482 1/20 0.34
NAMPT P43490 1/20 0.34
BMP1 P13497 1/20 0.34

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
SCHEMBL4136808 1.00 SLC6A3 (0.38) SLC6A3IDH1TRPV4CCKBRGAA
SCHEMBL4140598 0.92 MAPK1 (0.40) IDH1TRPV4CCKBRGAACCR1
SCHEMBL4136390 0.92 MAPK1 (0.40) IDH1TRPV4CCKBRGAACCR1
SCHEMBL4136142 0.91 BMP1 (0.41) TRPV4CCKBRCCR1ADAM17MAPK1
SCHEMBL4136138 0.91 BMP1 (0.41) TRPV4CCKBRCCR1ADAM17MAPK1
SCHEMBL4136057 0.90 GAA (0.40) TRPV4GAACCR1CNR1CNR2
SCHEMBL4136055 0.90 GAA (0.40) TRPV4GAACCR1CNR1CNR2
SCHEMBL4140595 0.89 MEN1 (0.43) TRPV4CCKBRGAACCR1CNR1
SCHEMBL4140589 0.89 MEN1 (0.43) TRPV4CCKBRGAACCR1CNR1
SCHEMBL4144527 0.89 IDH1 (0.36) IDH1TRPV4CCKBRGAACCR1

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 4 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

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 SLC6A3 666/4885IDH1 4176/4885TRPV4 1/4885

“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.