SCHEMBL472400

SCHEMBL472400

O=C(Nc1cccc2c1CC(O)CC2)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ACHE P22303 1/20 0.51
CASP3 P42574 1/20 0.46
MGLL Q99685 1/20 0.43
PLAU P00749 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
OPRM1 P35372 1/20 0.42

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
SCHEMBL1961986 0.87 NPC1 (0.50) NPC1RAB9ACA1CA2ACHE
SCHEMBL14278347 0.86 CA1 (0.49) TRPV1NPC1RAB9ACA1CA2
SCHEMBL24192057 0.84 TRPV1 (0.50) TRPV1ALDH1A1
SCHEMBL2734026 0.82 TRPV1 (0.55) TRPV1
SCHEMBL4351760 0.82 TRPV1 (0.55) TRPV1
SCHEMBL1961942 0.82 CA1 (0.52) NPC1RAB9ACA1CA2ACHE
SCHEMBL1963207 0.81 CA1 (0.59) NPC1RAB9ACA1CA2ACHE
SCHEMBL472492 0.81 CA1 (0.43) TRPV1NPC1RAB9ACA1CA2
SCHEMBL472494 0.81 CA1 (0.43) TRPV1NPC1RAB9ACA1CA2
SCHEMBL13613606 0.80 TRPV1 (0.59) TRPV1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019485-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2022-06-29 EP disclosed
US-20220009898-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-01-13 US disclosed
WO-2021038889-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVE 持田製薬株式会社 2021-03-04 WO disclosed
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
EP-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 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
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2010-01-14 US disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 WO disclosed
US-7504520-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1885704-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2008-02-13 EP disclosed
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBVIE INC. 2006-12-14 US disclosed
WO-2006122250-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-11-16 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-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof TRPV1, TMEM109, CACNA1E TRPV1 1/4885NPC1 1188/4885RAB9A 1195/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E TRPV1 1/4885NPC1 1188/4885RAB9A 1195/4885
US-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 TRPV1 1/4885NPC1 237/4885RAB9A 1734/4885
US-20220009898-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVE COASY, NAAA, AADAC TRPV1 2623/4885NPC1 2609/4885RAB9A 1394/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E TRPV1 1/4885NPC1 1188/4885RAB9A 1195/4885

“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.