SCHEMBL14894182

SCHEMBL14894182

COc1cc2c(cc1C#N)CCC(=O)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ S1PR2 O95136 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AR P10275 4/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL2241521 0.83 GAA (0.61) GAASMN1; SMN2MAPTCYP3A4LMNA
SCHEMBL6630079 0.77 MAOA (0.66) GAASMN1; SMN2S1PR2HPGDMAPK1
SCHEMBL14895921 0.76 HTR2C (0.57) GAASMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL1142495 0.76 SMN1; SMN2 (0.49) GAASMN1; SMN2MAPTCYP3A4ALDH1A1
SCHEMBL14495086 0.75 TDP1 (0.44) GAASMN1; SMN2S1PR2HPGDMAPK1
SCHEMBL14495096 0.75 TDP1 (0.47) GAASMN1; SMN2S1PR2HPGDMAPK1
SCHEMBL7291355 0.73 GAA (0.56) GAASMN1; SMN2S1PR2HPGDMAPK1
SCHEMBL27087561 0.72 CHEK1 (0.38) MAPTALDH1A1LMNAKDM4EUSP2
SCHEMBL29940794 0.72 CHEK1 (0.38) MAPTALDH1A1LMNAKDM4EUSP2
SCHEMBL6585554 0.71 CYP3A4 (0.71) GAASMN1; SMN2MAPTCYP3A4MAOA

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-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 — — EP disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 — — US disclosed
EP-2771005-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 — — EP disclosed
WO-2013062892-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — 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-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 GAA 3491/4885SMN1; SMN2 1467/4885S1PR2 844/4885

“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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