SCHEMBL286830

SCHEMBL286830

O=C(OCc1ccccc1)N1CC2CC1CN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
AGTR2 P50052 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL15409979 1.00 HTR2C (0.51) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL928026 0.88 SMN1; SMN2 (0.46) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL14218351 0.85 HTR2C (0.47) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL928745 0.83 SMN1; SMN2 (0.47) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL26092273 0.82 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31663758 0.82 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8007264 0.82 PREP (0.53) HTR2CSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22001576 0.81 AGTR2 (0.47) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL2282075 0.80 HTR2C (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL23467506 0.79 LTA4H (0.49) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 US disclosed
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 US disclosed
EP-1945028-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS Merck & Co., Inc. (US) 2008-07-23 EP disclosed
WO-2007055942-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007055942-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS MERCK & CO., INC. (US) 2007-05-18 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 (5 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 HTR2C 494/4885PSEN1 1009/4885PSEN2 995/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL HTR2C 475/4885PSEN1 1217/4885PSEN2 1171/4885
US-20090105264-A1 Substituted Nicotinamide Compounds SIRT1, NQO1, TXNRD2 HTR2C 3583/4885PSEN1 969/4885PSEN2 1500/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 HTR2C 3346/4885PSEN1 4103/4885PSEN2 4643/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 HTR2C 3346/4885PSEN1 4103/4885PSEN2 4643/4885

“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.