SCHEMBL5018074

SCHEMBL5018074

O=C(NCCCc1ccccc1)Nc1cccc2[nH]ncc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.61
ROCK1 Q13464 2/20 0.61
CLK4 Q9HAZ1 1/20 0.60
TRPV1 Q8NER1 11/20 0.60
KDM4E B2RXH2 1/20 0.53
EPHX1 P07099 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6066324 0.83 CLK4 (0.62) ROCK2ROCK1CLK4TRPV1
SCHEMBL5017595 0.83 CLK4 (0.62) CLK4TRPV1
SCHEMBL5017508 0.80 CLK4 (0.67) CLK4TRPV1
SCHEMBL13996993 0.79 KDM4E (0.76) KDM4EEPHX1KMT2ANPC1ALDH1A1
SCHEMBL5018065 0.78 TRPV1 (0.65) ROCK2ROCK1CLK4TRPV1
SCHEMBL20442319 0.77 TRPV1 (0.62) ROCK2ROCK1CLK4TRPV1KDM4E
SCHEMBL4026884 0.77 TRPV1 (0.87) TRPV1KDM4ENPC1ALDH1A1HTT
SCHEMBL15146104 0.76 ROCK2 (1.00) ROCK2ROCK1CLK4KDM4EEPHX1
SCHEMBL4686842 0.76 SLC29A1 (0.61) ROCK2ROCK1KDM4EEPHX1ALDH1A1
SCHEMBL17738840 0.76 PKM (0.53) ROCK2ROCK1CLK4TRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP claimed
JP-2007501246-A 2007-01-25 JP claimed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP claimed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US 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
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US claimed
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 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
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 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 (2 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-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 ROCK2 4312/4885ROCK1 2388/4885CLK4 4512/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 ROCK2 4247/4885ROCK1 2621/4885CLK4 4424/4885

“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.