SCHEMBL1751859

SCHEMBL1751859

CC(C)(C)OC(=O)NC1(C[NH])CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
PPIA P62937 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
CTSL P07711 1/20 0.37
APLNR P35414 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
GAA P10253 2/20 0.34
CTSK P43235 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GHSR Q92847 1/20 0.32

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
SCHEMBL28143048 0.85 MEN1 (0.37) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL56916 0.83 TDP1 (0.41) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL14173595 0.83 KMT2A (0.38) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL7609264 0.81 MEN1 (0.37) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL1752478 0.81 MEN1 (0.37) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL24457724 0.80 MEN1 (0.36) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL89757 0.80 PPIA (0.37) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL17553436 0.80 P2RX7 (0.40) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL23161172 0.80 MEN1 (0.36) P2RX7PPIAMEN1KMT2AMAPK1
SCHEMBL15297512 0.80 MEN1 (0.37) P2RX7PPIAMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20080146643-A1 COMBINATION PFIZER LIMITED (GB) 2008-06-19 US disclosed
WO-2008072077-A2 COMBINATION OF 1-ARYL-4-CYCLOPROPYLPYRAZOLES WITH ANTHELMINTIC AGENT FOR PARASITIC INFESTATION PFIZER LIMITED (GB) 2008-06-19 WO disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20070149464-A1 COMBINATION PFIZER INC. (US) 2007-06-28 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 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 (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-20080146643-A1 COMBINATION PIGO, EPX, PIGS P2RX7 2049/4885PPIA 206/4885MEN1 3008/4885
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 P2RX7 158/4885PPIA 405/4885MEN1 3905/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 P2RX7 158/4885PPIA 405/4885MEN1 3905/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 P2RX7 158/4885PPIA 405/4885MEN1 3905/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 P2RX7 87/4885PPIA 525/4885MEN1 3272/4885
US-20070149464-A1 COMBINATION PIGO, EPX, PIGS P2RX7 2049/4885PPIA 206/4885MEN1 3008/4885

“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.