SCHEMBL16430663

SCHEMBL16430663

CC(C)(C)OC(=O)N1CCC2(CCCN(c3ncc([N+](=O)[O-])cn3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 11/20 0.49
▸ HSD17B10 Q99714 10/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP2C19 P33261 7/20 0.48
▸ CYP1A2 P05177 6/20 0.48
▸ TSHR P16473 5/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP3A4 P08684 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP11B2 P19099 1/20 0.43
▸ RET P07949 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ ACACB O00763 1/20 0.41

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
SCHEMBL16430779 0.85 CYP2D6 (0.53) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL596003 0.82 MAPT (0.65) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL17925102 0.82 MAPT (0.54) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL16430907 0.79 CYP11B2 (0.51) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL16432767 0.79 KCNJ1 (0.49) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL17925020 0.78 CYP11B2 (0.49) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL30328302 0.78 CYP11B2 (0.49) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL31039903 0.77 MAPT (0.56) CYP2D6HSD17B10ALDH1A1CYP2C19CYP1A2
SCHEMBL17925046 0.77 GPR119 (0.54) CYP11B2GPR119
SCHEMBL12006692 0.76 ALDH1A1 (0.74) HSD17B10ALDH1A1CYP2C19CYP1A2TSHR

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
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 — — EP disclosed
US-9751881-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-05 — — US disclosed
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 — — US disclosed
EP-3027625-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-06-08 — — EP disclosed
WO-2015017305-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP (US) 2015-02-05 — — 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-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CYP2D6 3517/4885HSD17B10 3473/4885ALDH1A1 1722/4885

“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.

Send feedback