SCHEMBL15906364

SCHEMBL15906364

O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)C(CNC(=O)Cc2ccc(N=C=S)cc2)CN(CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15709429 0.98 FOLH1 (0.40) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL15047602 0.84 SIGMAR1 (0.42) FOLH1L3MBTL1CYP2D6GAASMN1; SMN2
SCHEMBL16925972 0.83 GRIN1 (0.47) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL27143361 0.83 GRIN1 (0.48) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL1079076 0.83 GRIN1 (0.48) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL999924 0.83 GRIN1 (0.48) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL16925973 0.83 GRIN1 (0.48) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL5864681 0.83 GRIN1 (0.48) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL210579 0.83 GRIN1 (0.48) OPRD1FOLH1GRIN1GRIN2AGRIN2B
SCHEMBL15709382 0.82 SIGMAR1 (0.43) FOLH1ALDH1A1

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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS UNIVERSITE DE CERGY PONTOISE (FR) 2014-10-23 — — US disclosed
US-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS UNIVERSITE DE CERGY PONTOISE (FR) 2014-10-23 — — US disclosed
EP-2604281-B1 Clicked somatostatin conjugated analogs for biological applications CENTRE NAT RECH SCIENT (FR) 2014-07-30 — — EP 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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS SSTR4, SSTR3, SSTR2 OPRD1 3335/4885FOLH1 638/4885GRIN1 4737/4885

“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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