SCHEMBL16827086

SCHEMBL16827086

NCC1CN(CC2CCOCC2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.39
▸ TACR2 P21452 1/20 0.34
▸ KEAP1 Q14145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ DRD4 P21917 1/20 0.31

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
Hydrochloric Acid SCHEMBL30133735 0.98 GBA1 (0.38) GBA1TACR2KEAP1SMN1; SMN2HRH3
SCHEMBL13135886 0.88 CHRM5 (0.42) GBA1SMN1; SMN2CHEK1DRD4
SCHEMBL12832367 0.84 CHEK1 (0.31) CHEK1DRD4
SCHEMBL12759024 0.81 NCF1 (0.43) HRH3CHEK1DRD4
SCHEMBL1501904 0.79 THRB (0.35) TACR2SMN1; SMN2
SCHEMBL1501915 0.78 THRB (0.37) TACR2SMN1; SMN2
SCHEMBL28414511 0.77 PDK1 (0.38) GBA1TACR2HRH3
SCHEMBL1502249 0.75 THRB (0.42) —
SCHEMBL1502295 0.75 HTR4 (0.38) SMN1; SMN2
SCHEMBL3404154 0.75 HTR4 (0.38) SMN1; SMN2

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-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 — — US disclosed
EP-3099675-B1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-02-14 — — EP disclosed
EP-3099675-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Suven Life Sciences Limited (IN) 2016-12-07 — — EP disclosed
US-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-27 — — US disclosed
WO-2015092804-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2015-06-25 — — 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-20160311797-A1 INDAZOLE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A GBA1 2289/4885TACR2 100/4885KEAP1 2211/4885

“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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