SCHEMBL167108

SCHEMBL167108

CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2=CC=C2)CC3)cn1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.68
HRH1 P35367 1/20 0.68
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 3/20 0.41
NFKB1 P19838 1/20 0.40
NR2C2 P49116 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TAB1 Q15750 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL3089295 0.90 HRH3 (0.55) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3090947 0.89 HRH3 (0.53) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL3086218 0.88 HRH3 (0.52) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL167107 0.81 HRH3 (1.00) HRH3HRH1
SCHEMBL29665214 0.81 HRH3 (1.00) HRH3HRH1
SCHEMBL3091166 0.81 HRH3 (0.96) HRH3HRH1
SCHEMBL29496216 0.81 HRH3 (1.00) HRH3HRH1
SCHEMBL3077258 0.81 HRH3 (0.67) HRH3HRH1NFKB1NFKB2RELA
SCHEMBL3089265 0.80 HRH3 (0.66) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL4922896 0.80 HRH3 (0.72) HRH3HRH1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US claimed
EP-2424528-A2 TREATMENT OF OSTEOARTHRITIS PAIN Abbott Laboratories (US) 2012-03-07 EP claimed
WO-2010129242-A2 TREATMENT OF OSTEOARTHRITIS PAIN ABBOTT LABORATORIES (US) 2010-11-11 WO claimed
US-20100273778-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBOTT LABORATORIES (US) 2010-10-28 US claimed
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US disclosed
US-9186353-B2 Treatment of osteoarthritis pain ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2424528-A2 TREATMENT OF OSTEOARTHRITIS PAIN Abbott Laboratories (US) 2012-03-07 EP disclosed
WO-2010129242-A2 TREATMENT OF OSTEOARTHRITIS PAIN ABBOTT LABORATORIES (US) 2010-11-11 WO disclosed
US-20100273778-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBOTT LABORATORIES (US) 2010-10-28 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-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885OPRM1 92/4885
US-20100273778-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885OPRM1 92/4885

“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.