SCHEMBL863545

SCHEMBL863545

CC(C1CCC1)N1CCC2(CC1)Cc1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
EPHX2 P34913 3/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CCR1 P32246 3/20 0.36
EPHX1 P07099 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SCN5A Q14524 1/20 0.36
CCR5 P51681 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34

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 0.84 KDM4E (0.40) CCR1HRH3ATM
SCHEMBL21145503 0.83 CYP2D6 (0.46) SIGMAR1EPHX2DRD2HTR2AHTR2C
SCHEMBL10246786 0.83 HRH3 (0.38) OPRM1OPRK1OPRL1CCR1HRH3
SCHEMBL863262 0.83 HRH3 (0.38) HTR2BHRH3
SCHEMBL10191767 0.80 HRH3 (0.36) CCR1HRH3ATM
SCHEMBL7857089 0.79 HRH3 (0.36) HRH3
SCHEMBL863342 0.78 HRH3 (0.49) DRD2HTR2AHRH3
SCHEMBL10191726 0.77 GPR119 (0.39) HRH3ATM
SCHEMBL2743253 0.77 KMT2A (0.49) SIGMAR1EPHX2DRD2HTR2AHTR2C
SCHEMBL863863 0.77 OTUD7B (0.37) 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 4 patents. 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
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO 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 OPRM1 302/4885OPRK1 120/4885OPRL1 101/4885

“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.