SCHEMBL18017067

SCHEMBL18017067

CC1=C(c2ccc(N3CCNCC3)nc2)COC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.51
▸ KCNH2 Q12809 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ ASIC3 Q9UHC3 1/20 0.47
▸ RET P07949 3/20 0.44
▸ METAP2 P50579 2/20 0.44
▸ ATR Q13535 1/20 0.43
▸ PLD1 Q13393 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ IL2 P60568 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ BMPR1B O00238 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ ACVR1B P36896 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PRKD3 O94806 1/20 0.39

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
SCHEMBL18017085 0.84 ALDH1A1 (0.45) —
SCHEMBL17977053 0.80 CYP1A2 (0.43) GPR119RETPLD1NMT1TLR9
SCHEMBL18017066 0.75 TGFBR1 (0.41) KCNH2IL2MAP4K1BMPR1BBMPR1A
SCHEMBL17977119 0.74 GPR119 (0.53) GPR119KCNH2CACNA1CASIC3RET
SCHEMBL3442195 0.72 GPR119 (0.59) GPR119KCNH2CACNA1CASIC3ATR
SCHEMBL23601164 0.71 KCNH2 (0.57) GPR119KCNH2CACNA1CASIC3RET
SCHEMBL1199415 0.71 PLD1 (0.60) GPR119KCNH2CACNA1CASIC3RET
SCHEMBL15244966 0.71 KCNH2 (0.56) GPR119KCNH2CACNA1CASIC3RET
SCHEMBL15244897 0.71 KCNH2 (0.56) GPR119KCNH2CACNA1CASIC3RET
SCHEMBL2760708 0.70 CNR2 (0.74) GPR119KCNH2CACNA1CASIC3ATR

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
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 — — US disclosed
WO-2016127358-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-08-18 — — 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-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 GPR119 1040/4885KCNH2 23/4885CACNA1C 362/4885

“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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