SCHEMBL9934214

SCHEMBL9934214

O=CC1=CN=Cc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.43
NTSR1 P30989 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
DRD2 P14416 1/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9935517 0.72 TRPA1 (0.47) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL27540000 0.71 TRPA1 (0.43) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL26686704 0.70 TRPA1 (0.42) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL7377318 0.70 TRPA1 (0.49) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL30616800 0.70 TRPA1 (0.42) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL11747573 0.69 KDM4E (0.37) TRPA1NTSR1GPR55DRD2HTR6
SCHEMBL25341094 0.69 TRPA1 (0.39) TRPA1GPR55LMNAMAPT
SCHEMBL10499941 0.68 TRPA1 (0.40) TRPA1
SCHEMBL9933270 0.68 TRPA1 (0.43) TRPA1DRD2HTR6LMNAMAPT
SCHEMBL27481164 0.68 TRPA1 (0.43) TRPA1LMNAMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
EP-2518064-A1 NOVEL ARYL UREA DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
CN-1982308-B Substituted pyrazoles ORTHO MCNEIL PHARM INC 2010-06-16 CN disclosed
CN-100506825-C Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2009-07-01 CN disclosed
CN-1982308-A Substituted pyrazoles ORTHO MCNEIL PHARM INC (US) 2007-06-20 CN disclosed
CN-1294130-C Substituted pyrazoles ORTHO MCNEIL PHARM INC (US) 2007-01-10 CN disclosed
CN-1649882-A Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2005-08-03 CN 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 (6 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TRPA1 3758/4885NTSR1 4162/4885GPR55 475/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 TRPA1 574/4885NTSR1 96/4885GPR55 43/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 TRPA1 722/4885NTSR1 161/4885GPR55 50/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TRPA1 3758/4885NTSR1 4162/4885GPR55 475/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TRPA1 273/4885NTSR1 74/4885GPR55 9/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TRPA1 379/4885NTSR1 132/4885GPR55 8/4885

“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.