SCHEMBL3101907

SCHEMBL3101907

N#Cc1ccc2c(c1)CC(CO)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.49
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
TRPM5 Q9NZQ8 3/20 0.40
TRPM4 Q8TD43 1/20 0.40
MCHR1 Q99705 5/20 0.39
KDM1A O60341 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 2/20 0.38
CYP19A1 P11511 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
SCHEMBL3101900 1.00 PNMT (0.49) PNMTDRD2DRD3TRPM5TRPM4
SCHEMBL22070979 0.87 PNMT (0.45) PNMTDRD2DRD3MCHR1KDM1A
SCHEMBL7387150 0.87 CYP19A1 (0.47) PNMTDRD2DRD3MCHR1KDM1A
SCHEMBL19329145 0.76 PNMT (0.74) PNMTDRD2DRD3TRPM5TRPM4
SCHEMBL19329146 0.76 PNMT (0.74) PNMTDRD2DRD3TRPM5TRPM4
SCHEMBL29593839 0.76 PNMT (0.49) PNMTDRD2DRD3KDM1A
SCHEMBL4735015 0.76 PNMT (0.49) PNMTDRD2DRD3KDM1A
SCHEMBL16233592 0.76 PNMT (0.49) PNMTDRD2DRD3MCHR1KDM1A
SCHEMBL8554728 0.74 DRD2 (0.46) PNMTDRD2DRD3MCHR1SLC6A4
Hydrochloric Acid SCHEMBL29878547 0.74 PNMT (0.47) PNMTDRD2DRD3KDM1A

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 10 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
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 US 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 (2 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R PNMT 233/4885DRD2 172/4885DRD3 253/4885
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 PNMT 1834/4885DRD2 2652/4885DRD3 2874/4885

“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.