SCHEMBL4023529

SCHEMBL4023529

C/C(=C/C(=O)O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
KIF11 P52732 7/20 0.55
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
IDO1 P14902 1/20 0.39
NOTUM Q6P988 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
FFAR1 O14842 1/20 0.37
TBXAS1 P24557 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL2575608 1.00 NR4A1 (0.59) NR4A1NR4A2NR4A3KIF11KCNQ3
SCHEMBL4023527 1.00 NR4A1 (0.59) NR4A1NR4A2NR4A3KIF11KCNQ3
SCHEMBL2576659 0.82 NR4A1 (0.54) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL2576657 0.82 NR4A1 (0.54) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL313169 0.80 KIF11 (0.75) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2572494 0.79 HDAC1 (0.53) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL20161985 0.79 KIF11 (0.51) NR4A1NR4A2NR4A3KIF11KCNQ3
SCHEMBL3203900 0.79 HDAC1 (0.53) NR4A1NR4A2NR4A3KCNQ3KCNQ2
SCHEMBL850429 0.78 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29620952 0.78 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247413-B2 e.g. N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea; opioid receptor inhibitor; analgesic, antiinflammatory agent; inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity ABBOTT LABORATORIES (US) 2012-08-21 US disclosed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
US-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-09-04 US disclosed
US-7335678-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBOTT LABORATORIES (US) 2008-02-26 US disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 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 (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-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR TRPV1, TMEM109, VIPR1 NR4A1 160/4885NR4A2 179/4885NR4A3 272/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 NR4A1 146/4885NR4A2 183/4885NR4A3 273/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 NR4A1 155/4885NR4A2 194/4885NR4A3 290/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 NR4A1 138/4885NR4A2 187/4885NR4A3 238/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 NR4A1 160/4885NR4A2 179/4885NR4A3 272/4885

“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.