SCHEMBL18167422

SCHEMBL18167422

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.40
▸ OPRK1 P41145 4/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18167424 1.00 ABCC2 (0.40) ABCC2OPRK1MAPTTDP1
SCHEMBL17965893 1.00 ABCC2 (0.40) ABCC2OPRK1MAPTTDP1
SCHEMBL18167420 1.00 ABCC2 (0.40) ABCC2OPRK1MAPTTDP1
SCHEMBL18167421 1.00 ABCC2 (0.40) ABCC2OPRK1MAPTTDP1
SCHEMBL16608964 0.88 RET (0.41) ABCC2OPRK1MAPTTDP1
SCHEMBL16608958 0.88 RET (0.41) ABCC2OPRK1MAPTTDP1
SCHEMBL16608911 0.88 RET (0.41) ABCC2OPRK1MAPTTDP1
SCHEMBL16608907 0.88 RET (0.41) ABCC2OPRK1MAPTTDP1
SCHEMBL17965887 0.80 POLB (0.38) OPRK1MAPTTDP1
SCHEMBL15873376 0.79 ALDH1A1 (0.42) OPRK1MAPT

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 2 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-20160311794-A1 COMPOUND HAVING SOMATOSTATIN RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 — — 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-20160311794-A1 COMPOUND HAVING SOMATOSTATIN RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE THEREOF SSTR1, SSTR2, SSTR3 ABCC2 2970/4885OPRK1 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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