SCHEMBL16438694

SCHEMBL16438694

CS(=O)(=O)c1ccc(N2CCC3(CCNCC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.48
RORC P51449 1/20 0.44
HRH3 Q9Y5N1 6/20 0.43
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
PTGS2 P35354 2/20 0.39
LIPE Q05469 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SOS1 Q07889 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
Hydrochloric Acid SCHEMBL16431005 0.99 KCNJ1 (0.48) KCNJ1RORCHRH3OPRM1OPRL1
SCHEMBL6025250 0.82 ADRB1 (0.46) RORCHRH3LIPESOS1EGLN1
SCHEMBL16430538 0.81 KCNJ1 (0.52) KCNJ1RORCHRH3OPRM1OPRL1
SCHEMBL16430381 0.81 KCNJ1 (0.52) KCNJ1OPRM1OPRL1EGLN1
SCHEMBL12342523 0.80 HRH3 (0.45) RORCHRH3LIPESOS1EGLN1
SCHEMBL22396051 0.80 HRH3 (0.43) RORCHRH3LIPEEGLN1
SCHEMBL3127570 0.79 USP2 (0.47) RORCHRH3KDM4EALDH1A1HDAC8
SCHEMBL743526 0.79 EGLN1 (0.55) RORCHRH3LIPEEGLN1
SCHEMBL6027715 0.79 HTR3E (0.50) HRH3LIPEEGLN1
Hydrochloric Acid SCHEMBL2336913 0.78 HRH3 (0.44) RORCHRH3LIPESOS1EGLN1

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-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-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
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 US 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 KCNJ1 2/4885RORC 2064/4885HRH3 1545/4885

“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.