SCHEMBL10246786

SCHEMBL10246786

Bc1ccc2c(c1)CC1(CCN(C(C)C3CCC3)CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.38
CCR1 P32246 4/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL10191763 0.87 KDM4E (0.40) HRH3CCR1
SCHEMBL863262 0.86 HRH3 (0.38) HRH3
SCHEMBL10191767 0.83 HRH3 (0.36) HRH3CCR1
SCHEMBL863545 0.83 OPRM1 (0.41) HRH3CCR1OPRM1OPRK1OPRL1
SCHEMBL7857089 0.82 HRH3 (0.36) HRH3KCNH2
SCHEMBL10191726 0.80 GPR119 (0.39) HRH3
SCHEMBL10191787 0.80 HRH3 (0.33) HRH3
SCHEMBL863863 0.79 OTUD7B (0.37) HRH3KCNH2
SCHEMBL864606 0.79 GPR119 (0.38) HRH3
SCHEMBL863631 0.77 CREBBP (0.39) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 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 (1 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885CCR1 1428/4885OPRM1 302/4885

“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.