SCHEMBL2319086

SCHEMBL2319086

O=C1CCOc2c(OC(F)(F)F)cccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.35
SCN9A Q15858 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM5 P41594 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOB P27338 1/20 0.34
LTB4R Q15722 4/20 0.34
LTB4R2 Q9NPC1 4/20 0.34

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
SCHEMBL1508794 0.84 PARP1 (0.46) ALDH1A1L3MBTL1TRPV1MAPTCNR2
SCHEMBL26615220 0.81 LMNA (0.38) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL30665359 0.81 LMNA (0.38) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL768807 0.80 MAPT (0.55) ALDH1A1LMNAMAPTKDM4EMAOB
SCHEMBL5400102 0.79 DRD1 (0.37) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL20554131 0.78 MAOB (0.36) ALDH1A1SCN9ANPSR1GRM5MAOB
SCHEMBL5410275 0.77 MAOB (0.34) L3MBTL1LMNAMAPTGRM5MAOB
SCHEMBL2315421 0.76 ALDH1A1 (0.40) ALDH1A1GRM5MAOB
SCHEMBL1508672 0.74 ABCB1 (0.43) ALDH1A1L3MBTL1SCN9APOLBNPSR1
SCHEMBL1265527 0.74 CYP19A1 (0.46) LMNAMAPTGRM5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
CN-101827585-A Solid dispersion product containing N-aryl ureido compound ABBOTT GMBH & CO KG 2010-09-08 CN disclosed
EP-2197426-A2 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND Abbott GmbH & Co. KG (DE) 2010-06-23 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
WO-2009050289-A2 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-04-23 WO disclosed
US-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-7241757-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-07-10 US disclosed
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2004-09-23 US disclosed
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US disclosed
EP-1140820-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1140820-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 ALDH1A1 1287/4885L3MBTL1 1601/4885TRPV1 1/4885
US-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, TFPI ALDH1A1 4667/4885L3MBTL1 2567/4885TRPV1 3906/4885
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 ALDH1A1 4181/4885L3MBTL1 1595/4885TRPV1 4489/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 ALDH1A1 2453/4885L3MBTL1 2127/4885TRPV1 1/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 ALDH1A1 1109/4885L3MBTL1 4470/4885TRPV1 4781/4885

“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.