SCHEMBL16430912

SCHEMBL16430912

CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(S(C)(=O)=O)cn3)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.55
▸ RET P07949 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KCNJ1 P48048 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL4516902 0.83 GPR119 (0.74) GPR119HSD17B10TSHRALDH1A1
SCHEMBL30049869 0.82 ALDH1A1 (0.53) GPR119RETHSD17B10TSHRALDH1A1
SCHEMBL17925082 0.82 GPR119 (0.50) GPR119KCNJ1
SCHEMBL17925046 0.81 GPR119 (0.54) GPR119
SCHEMBL22137606 0.79 RET (0.52) GPR119RETHSD17B10CYP1A2CYP2D6
SCHEMBL17925102 0.78 MAPT (0.54) RETHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL17925031 0.78 GPR119 (0.52) GPR119KCNJ1
SCHEMBL16431467 0.78 ALDH1A1 (0.57) GPR119RETHSD17B10CYP1A2CYP2D6
SCHEMBL16430669 0.78 KCNJ1 (0.49) GPR119KCNJ1
SCHEMBL17925118 0.78 GPR119 (0.51) GPR119RETHSD17B10CYP1A2CYP2D6

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 GPR119 1088/4885RET 681/4885HSD17B10 3473/4885

“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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