SCHEMBL4019682

SCHEMBL4019682

Cc1cc2c(NC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
TP53 P04637 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 2/20 0.55
TRPV1 Q8NER1 3/20 0.54
PANK3 Q9H999 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
P2RY12 Q9H244 1/20 0.50
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL4030535 0.84 TRPV1 (0.60) MAPTTP53SMN1; SMN2POLBTRPV1
SCHEMBL6065636 0.79 TRPV1 (0.55) MAPTTP53SMN1; SMN2POLBTRPV1
SCHEMBL4023560 0.74 TRPV1 (0.60) MAPTSMN1; SMN2POLBTRPV1KDM4E
SCHEMBL4025813 0.73 TRPV1 (0.62) MAPTTP53SMN1; SMN2POLBTRPV1
SCHEMBL21533586 0.73 MAPT (0.61) MAPTTP53SMN1; SMN2POLBPANK3
SCHEMBL4028254 0.72 TRPV1 (0.63) MAPTSMN1; SMN2POLBTRPV1KDM4E
SCHEMBL4022939 0.71 TRPV1 (0.70) TRPV1
SCHEMBL4027104 0.71 TRPV1 (0.98) MAPTTRPV1
SCHEMBL13841561 0.70 ROCK2 (0.56) TRPV1
SCHEMBL21533596 0.70 MAPT (0.58) MAPTTP53SMN1; SMN2POLBPANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-09-04 US claimed
JP-2007501246-A 2007-01-25 JP claimed
US-7074805-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-07-11 US claimed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP claimed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US claimed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO claimed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP claimed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US claimed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US claimed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO claimed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US claimed
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
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 MAPT 4192/4885TP53 3593/4885SMN1; SMN2 2589/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 MAPT 4118/4885TP53 3579/4885SMN1; SMN2 2495/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 MAPT 4186/4885TP53 3598/4885SMN1; SMN2 2487/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 MAPT 4138/4885TP53 3139/4885SMN1; SMN2 2929/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 MAPT 4192/4885TP53 3593/4885SMN1; SMN2 2589/4885

“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.