SCHEMBL17714545

SCHEMBL17714545

C[Si](C)(C)OC1(C#N)CCCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 5/20 0.43
TMEM97 Q5BJF2 1/20 0.42
OPRL1 P41146 2/20 0.42
ACHE P22303 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 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
SCHEMBL2604321 0.95 OPRM1 (0.56) OPRM1CYP3A4HSD17B10SIGMAR1TMEM97
SCHEMBL23089517 0.90 CYP2D6 (0.46) OPRM1CYP3A4SIGMAR1TSHRMEN1
SCHEMBL23285142 0.87 OPRM1 (0.50) OPRM1CYP3A4HSD17B10SIGMAR1TMEM97
SCHEMBL22050088 0.80 OPRM1 (0.60) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL9177367 0.75 OPRM1 (0.54) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL17714554 0.73 OPRM1 (0.58) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL25192404 0.72 MEN1 (0.53) HSD17B10MEN1ALDH1A1CYP2C19KMT2A
SCHEMBL737241 0.72 MAPT (0.46) CYP3A4HSD17B10TSHRMEN1ALDH1A1
SCHEMBL24712978 0.72 OPRM1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL23274946 0.72 OPRL1 (0.50) CYP3A4HSD17B10SIGMAR1TMEM97OPRL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212618-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 US disclosed
EP-3212618-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-09-06 EP disclosed
WO-2016069426-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065602-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 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-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 OPRM1 938/4885CYP3A4 4595/4885HSD17B10 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.