SCHEMBL5434880

SCHEMBL5434880

CN(CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2s1)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.56
TACR2 P21452 12/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43
OPRM1 P35372 1/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
REN P00797 1/20 0.41
ACKR3 P25106 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRM1 Q13255 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
SCHEMBL5444326 0.99 TRPV4 (0.57) TRPV4TACR2CTSBCTSSCTSL
SCHEMBL5441712 0.96 TRPV4 (0.58) TRPV4TACR2CTSBCTSSOPRM1
SCHEMBL5440108 0.93 TRPV4 (0.55) TRPV4TACR2CTSBCTSSCTSK
SCHEMBL14361000 0.93 TRPV4 (0.55) TRPV4TACR2CTSBCTSSCTSK
SCHEMBL5438091 0.90 TRPV4 (0.46) TRPV4TACR2CTSBCTSSCTSL
SCHEMBL3917300 0.89 TRPV4 (0.51) TRPV4TACR2CTSBCTSSACKR3
SCHEMBL5434219 0.88 CTSS (0.45) TRPV4TACR2CTSBCTSSCTSL
SCHEMBL4563567 0.88 TRPV4 (0.53) TRPV4TACR2CTSBCTSSCTSL
SCHEMBL3917304 0.88 TRPV4 (0.53) TRPV4TACR2CTSBCTSSACKR3
SCHEMBL5432581 0.87 CTSB (0.45) TRPV4CTSBCTSSCTSLCTSK

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 82/4885CTSB 3229/4885

“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.