SCHEMBL20715717

SCHEMBL20715717

CC(C)Cc1ccc(NC(=O)[C@@H](N)CCCNC(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.49
▸ SPHK1 Q9NYA1 6/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SPHK2 Q9NRA0 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ NPY4R P50391 4/20 0.44
▸ S1PR1 P21453 3/20 0.44
▸ S1PR3 Q99500 3/20 0.44
▸ NPY1R P25929 3/20 0.44
▸ NPY2R P49146 2/20 0.44
▸ NPY5R Q15761 2/20 0.44
▸ S1PR4 O95977 2/20 0.44

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
SCHEMBL13928680 0.90 NPY4R (0.54) TRPV1SPHK1GAAMAPTCRHBP
SCHEMBL19234501 0.87 SPHK1 (0.53) SPHK1MAPTCRHBPCRHR2SPHK2
SCHEMBL22602618 0.86 TRPV1 (0.48) TRPV1SPHK1GAAMAPTCRHBP
SCHEMBL26445334 0.86 TRPV1 (0.48) TRPV1SPHK1GAAMAPTCRHBP
SCHEMBL17801791 0.86 SPHK1 (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL12634418 0.86 SPHK1 (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL17469339 0.84 LTA4H (0.48) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL25100491 0.83 LTA4H (0.46) SPHK1SMN1; SMN2SPHK2NPY4RS1PR1
SCHEMBL20715656 0.83 LTA4H (0.58) SPHK1GAAMAPTCRHBPCRHR2
SCHEMBL21849119 0.82 LTA4H (0.47) SPHK1SPHK2S1PR1S1PR3S1PR4

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-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 — — US disclosed
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 — — US disclosed
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2019-02-07 — — 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 (3 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-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 TRPV1 1299/4885SPHK1 405/4885GAA 260/4885
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 TRPV1 1332/4885SPHK1 424/4885GAA 265/4885
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 TRPV1 1299/4885SPHK1 405/4885GAA 260/4885

“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.

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