SCHEMBL17925020

SCHEMBL17925020

CSc1cnc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.49
▸ GPR119 Q8TDV5 8/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ ACACB O00763 3/20 0.44
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ RET P07949 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 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
SCHEMBL16430907 0.86 CYP11B2 (0.51) CYP11B2GPR119CYP3A4ACACBHSD17B10
SCHEMBL24945725 0.84 GPR119 (0.58) GPR119ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL30328302 0.84 CYP11B2 (0.49) CYP11B2GPR119CYP3A4ACACBHSD17B10
SCHEMBL17925046 0.83 GPR119 (0.54) CYP11B2GPR119
SCHEMBL16430779 0.81 CYP2D6 (0.53) CYP11B2GPR119CYP3A4ACACBHSD17B10
SCHEMBL22721094 0.80 ALDH1A1 (0.48) CYP11B2GPR119CYP3A4ACACBHSD17B10
SCHEMBL23742297 0.79 CYP11B2 (0.56) CYP11B2GPR119CYP3A4ACACBHSD17B10
SCHEMBL30329041 0.78 CYP11B2 (0.52) CYP11B2GPR119CYP3A4ACACBHSD17B10
SCHEMBL30327857 0.78 CYP11B2 (0.48) CYP11B2GPR119CYP3A4ACACBRET
SCHEMBL16430663 0.78 CYP2D6 (0.49) CYP11B2GPR119CYP3A4ACACBHSD17B10

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 3 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

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 CYP11B2 1375/4885GPR119 1088/4885CYP3A4 4595/4885

“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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