SCHEMBL1961986

SCHEMBL1961986

NC1CCc2cccc(NC(=O)OCc3ccccc3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 1/20 0.50
KDM1A O60341 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
PLAU P00749 1/20 0.45
CASP3 P42574 1/20 0.45
TSHR P16473 1/20 0.43
PTPN1 P18031 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
ENPP2 Q13822 1/20 0.41
HTR6 P50406 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
SCHEMBL472400 0.87 TRPV1 (0.53) NPC1RAB9ACA1CA2ACHE
SCHEMBL14278347 0.85 CA1 (0.49) NPC1RAB9ACA1CA2ACHE
SCHEMBL1961942 0.81 CA1 (0.52) NPC1RAB9ACA1CA2ACHE
SCHEMBL1963207 0.80 CA1 (0.59) NPC1RAB9ACA1CA2ACHE
SCHEMBL472495 0.79 CA1 (0.48) NPC1RAB9ACA1CA2ACHE
SCHEMBL4967574 0.79 CA1 (0.50) NPC1RAB9ACA1CA2ACHE
SCHEMBL472492 0.78 CA1 (0.43) NPC1RAB9ACA1CA2ACHE
SCHEMBL472494 0.78 CA1 (0.43) NPC1RAB9ACA1CA2ACHE
SCHEMBL4142385 0.78 NPC1 (0.53) NPC1RAB9ACA1CA2ACHE
SCHEMBL14278349 0.78 NPC1 (0.53) NPC1RAB9ACA1CA2ACHE

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-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 EP disclosed
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2011-06-16 US disclosed
US-7902236-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2010-01-14 US disclosed
US-7504520-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBVIE INC. 2006-12-14 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 (3 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-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof TRPV1, TMEM109, CACNA1E NPC1 1188/4885RAB9A 1195/4885CA1 2184/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E NPC1 1188/4885RAB9A 1195/4885CA1 2184/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E NPC1 1188/4885RAB9A 1195/4885CA1 2184/4885

“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.