SCHEMBL4019717

SCHEMBL4019717

O=C=Nc1cccc2cnc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
CCR2 P41597 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRP O00591 1/20 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
SCHEMBL1862522 0.81 CYP3A4 (0.49) CYP3A4TDP1GABRA1GABRB2ABCB11
SCHEMBL9229488 0.77 CYP3A4 (0.54) CYP3A4TDP1GABRA1GABRB2ABCB11
SCHEMBL3714186 0.73 CYP3A4 (0.48) CYP3A4TDP1GABRA1GABRB2ABCB11
SCHEMBL6066027 0.73 KDM4E (0.46) CYP3A4ALDH1A1CYP1A2TRPV1MAPK1
SCHEMBL1855079 0.72 CYP3A4 (0.49) CYP3A4TDP1ABCB11ALDH1A1NR3C1
SCHEMBL18791346 0.72 CYP1A2 (0.46) CYP3A4GABRA1GABRB2ALDH1A1CYP1A2
SCHEMBL31047649 0.72 CYP1A2 (0.46) CYP3A4GABRA1GABRB2ALDH1A1CYP1A2
SCHEMBL31047646 0.72 CYP1A2 (0.46) CYP3A4GABRA1GABRB2ALDH1A1CYP1A2
SCHEMBL29642695 0.70 CYP3A4 (0.49) CYP3A4TDP1GABRA1GABRB2ABCB11
SCHEMBL662710 0.70 CYP3A4 (0.49) CYP3A4TDP1GABRA1GABRB2ABCB11

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 14 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
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP 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
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP 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
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO 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 CYP3A4 1234/4885TDP1 3067/4885GABRA1 36/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CYP3A4 1208/4885TDP1 3013/4885GABRA1 51/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CYP3A4 1191/4885TDP1 2808/4885GABRA1 55/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 CYP3A4 1162/4885TDP1 2701/4885GABRA1 34/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 CYP3A4 1234/4885TDP1 3067/4885GABRA1 36/4885

“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.