SCHEMBL4871696

SCHEMBL4871696

Clc1cccnc1N1CC2CCC(C1)N2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
HSD11B1 P28845 2/20 0.45
MALT1 Q9UDY8 4/20 0.45
TRPV1 Q8NER1 3/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
PTPN11 Q06124 1/20 0.40

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
SCHEMBL13489654 0.81 HSD11B1 (0.51) HSD11B1MALT1TRPV1PTPN11
SCHEMBL30417113 0.81 HSD11B1 (0.51) HSD11B1MALT1TRPV1PTPN11
SCHEMBL3210143 0.81 HSD11B1 (0.51) HSD11B1MALT1TRPV1PTPN11
SCHEMBL4635199 0.75 HSD11B1 (0.46) HSD11B1MALT1TRPV1PTPN11
SCHEMBL30511942 0.74 DPP4 (0.46) HSD11B1MALT1TRPV1
SCHEMBL30416835 0.74 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL30416776 0.74 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL20283136 0.74 HSD11B1 (0.48) HSD11B1MALT1TRPV1
SCHEMBL30417130 0.74 HSD11B1 (0.45) HSD11B1MALT1TRPV1
SCHEMBL7396450 0.74 HSD11B1 (0.45) HSD11B1MALT1TRPV1PTPN11

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
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 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 (4 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-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 CHRNB2 231/4885CHRNA4 208/4885HSD11B1 2183/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 CHRNB2 352/4885CHRNA4 237/4885HSD11B1 4395/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G CHRNB2 2225/4885CHRNA4 1477/4885HSD11B1 3143/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 CHRNB2 1414/4885CHRNA4 762/4885HSD11B1 2583/4885

“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.