SCHEMBL5434009

SCHEMBL5434009

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
CTSK P43235 10/20 0.51
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
CTSS P25774 6/20 0.45
CTSB P07858 3/20 0.45
ACKR3 P25106 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
UTS2R Q9UKP6 2/20 0.43
PTGER4 P35408 3/20 0.41
CTSL P07711 5/20 0.40
CTSV O60911 2/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL14388678 0.89 TRPV4 (0.56) TRPV4CTSKTAS1R3TAS1R1CTSS
SCHEMBL5431334 0.85 TRPV4 (0.73) TRPV4CTSKTAS1R3TAS1R1CTSS
SCHEMBL5449491 0.83 TRPV4 (0.54) TRPV4CTSKCTSSCTSBUTS2R
SCHEMBL4136396 0.82 TRPV4 (0.70) TRPV4CTSKTAS1R3TAS1R1CTSS
SCHEMBL5446781 0.82 TRPV4 (0.51) TRPV4CTSKCTSSCTSBCTSL
SCHEMBL5449769 0.81 TRPV4 (0.43) TRPV4CTSKCTSSCTSBCTSL
SCHEMBL5429305 0.81 TRPV4 (0.63) TRPV4CTSKTAS1R3TAS1R1CTSS
SCHEMBL5444152 0.80 TRPV4 (0.59) TRPV4CTSKTAS1R3TAS1R1CTSS
SCHEMBL3914861 0.79 TRPV4 (0.44) TRPV4
SCHEMBL5435992 0.78 TRPV4 (0.52) TRPV4CTSKCTSSCTSBCTSL

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 TRPV4 1/4885CTSK 3434/4885TAS1R3 710/4885

“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.