SCHEMBL16608958

SCHEMBL16608958

CO[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.41
▸ OPRK1 P41145 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.34
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ ABCC2 Q92887 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL16608907 1.00 RET (0.41) RETOPRK1MAPTTDP1SUV39H2
SCHEMBL16608911 1.00 RET (0.41) RETOPRK1MAPTTDP1SUV39H2
SCHEMBL16608964 1.00 RET (0.41) RETOPRK1MAPTTDP1SUV39H2
SCHEMBL18167420 0.88 ABCC2 (0.40) OPRK1MAPTTDP1ABCC2
SCHEMBL17965893 0.88 ABCC2 (0.40) OPRK1MAPTTDP1ABCC2
SCHEMBL18167424 0.88 ABCC2 (0.40) OPRK1MAPTTDP1ABCC2
SCHEMBL18167421 0.88 ABCC2 (0.40) OPRK1MAPTTDP1ABCC2
SCHEMBL18167422 0.88 ABCC2 (0.40) OPRK1MAPTTDP1ABCC2
SCHEMBL16608976 0.84 CKS1B (0.45) OPRK1MAPTTDP1SUV39H2CKS1B
SCHEMBL16695012 0.78 CKS1B (0.47) MAPTTDP1SUV39H2CKS1BSKP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643951-B2 Compound having somatostatin receptor agonistic activity and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-09 — — US disclosed
US-9643951-B2 Compound having somatostatin receptor agonistic activity and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2017-05-09 — — US disclosed
US-20160311794-A1 COMPOUND HAVING SOMATOSTATIN RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 — — US disclosed
US-20160311794-A1 COMPOUND HAVING SOMATOSTATIN RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 — — US disclosed
WO-2015046482-A1 COMPOUND HAVING AGONISTIC ACTIVITY TO SOMATOSTATIN RECEPTOR AND MEDICINAL USE THEREOF 小野薬品工業株式会社 2015-04-02 — — WO 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-20160311794-A1 COMPOUND HAVING SOMATOSTATIN RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE THEREOF SSTR1, SSTR2, SSTR3 RET 127/4885OPRK1 1050/4885MAPT 3905/4885

“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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