SCHEMBL5016018

SCHEMBL5016018

N#Cc1cc(F)c(N2C3CCCC2CC3)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
PGR P06401 6/20 0.36
CYP11B2 P19099 5/20 0.34
CYP11B1 P15538 4/20 0.34
CYP19A1 P11511 2/20 0.33
USP14 P54578 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP17A1 P05093 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRM4 Q14833 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL5024509 0.79 USP14 (0.44) CYP11B2CYP11B1CYP19A1USP14CYP17A1
SCHEMBL3693704 0.77 TRPV1 (0.34) TRPV1
SCHEMBL6065608 0.75 HRH3 (0.33) HTR7PGRCYP11B2CYP11B1CYP19A1
SCHEMBL1898762 0.74 ABCB1 (0.31) TRPV1
SCHEMBL5024766 0.72 TRPV1 (0.39) TRPV1
SCHEMBL30462894 0.70 HRH3 (0.52) KCNH2HRH3
SCHEMBL20333011 0.70 ALDH1A1 (0.38) CYP19A1TRPV1
SCHEMBL4874601 0.70 TRPV1 (0.38) TRPV1KCNH2HRH3
SCHEMBL26182854 0.69 AR (0.35) HTR7
SCHEMBL24295264 0.69 USP14 (0.45) USP14HRH3

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 6 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 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
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 HTR7 393/4885PGR 810/4885CYP11B2 2139/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 HTR7 380/4885PGR 688/4885CYP11B2 2169/4885

“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.