SCHEMBL5440141

SCHEMBL5440141

CN(CCCNC(=O)[C@H](CC1CCCC1)NC(=O)c1cc2ccccc2s1)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.63
TACR2 P21452 7/20 0.44
PPM1D O15297 1/20 0.43
OPRM1 P35372 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
CTSS P25774 2/20 0.41
ACKR3 P25106 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL5430066 0.89 TRPV4 (0.68) TRPV4TACR2PPM1DOPRM1CTSS
SCHEMBL5430309 0.89 TRPV4 (0.67) TRPV4TACR2PPM1DOPRM1CTSS
SCHEMBL5447492 0.89 TRPV4 (0.67) TRPV4TACR2PPM1DOPRM1CTSS
SCHEMBL5438164 0.89 TRPV4 (0.61) TRPV4TACR2PPM1DOPRM1CTSS
SCHEMBL5435347 0.88 TRPV4 (0.58) TRPV4TACR2OPRM1CTSSACKR3
SCHEMBL5434087 0.87 TRPV4 (0.67) TRPV4TACR2PPM1DOPRM1CTSS
SCHEMBL5444326 0.87 TRPV4 (0.57) TRPV4TACR2OPRM1CTSSACKR3
SCHEMBL5434880 0.86 TRPV4 (0.56) TRPV4TACR2OPRM1CTSSACKR3
SCHEMBL14388633 0.85 TRPV4 (0.56) TRPV4TACR2OPRM1CTSSACKR3
SCHEMBL5431302 0.84 TRPV4 (0.57) TRPV4TACR2OPRM1CTSSACKR3

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-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
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 1/4885TACR2 82/4885PPM1D 3014/4885

“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.