SCHEMBL863908

SCHEMBL863908

c1ccc(CN2CCCC3(CC2)Cc2ccccc2O3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.71
DRD2 P14416 3/20 0.54
HTR2A P28223 2/20 0.54
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
CYP3A4 P08684 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL864155 0.95 SIGMAR1 (0.79) SIGMAR1DRD2HTR2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL11193368 0.93 SIGMAR1 (0.77) SIGMAR1DRD2HTR2AHDAC3HDAC4
SCHEMBL8914175 0.90 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL11184048 0.88 SIGMAR1 (0.59) SIGMAR1DRD2HTR2AHDAC3HDAC4
SCHEMBL11257702 0.86 SIGMAR1 (0.71) SIGMAR1DRD2HTR2AHDAC3HDAC4
SCHEMBL7326095 0.83 SIGMAR1 (1.00) SIGMAR1DRD2HTR2AHDAC3HDAC4
SCHEMBL11254741 0.81 DRD2 (0.80) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL11176916 0.81 DRD2 (0.62) SIGMAR1DRD2HTR2AHDAC3HDAC4
SCHEMBL863907 0.81 SIGMAR1 (0.59) SIGMAR1DRD2HTR2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL11543880 0.80 DRD2 (0.78) SIGMAR1DRD2HTR2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
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 SIGMAR1 179/4885DRD2 194/4885HTR2A 83/4885

“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.