SCHEMBL863351

SCHEMBL863351

c1ccc2c(c1)CC1(CCCNCC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.44
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 2/20 0.40
HTR2A P28223 2/20 0.37
KCNH2 Q12809 3/20 0.36
OPRK1 P41145 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL231585 0.93 OPRD1 (0.49) OPRD1HTR2CHTR2BHTR2AKCNH2
Hydrochloric Acid SCHEMBL10502202 0.92 OPRD1 (0.48) OPRD1HTR2CHTR2BHTR2AKCNH2
SCHEMBL8812382 0.87 HTR2A (0.44) OPRD1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL10502255 0.86 HTR2A (0.43) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7858958 0.84 SIGMAR1 (0.41) HTR2ACYP2D6CYP1A2PKMTSHR
SCHEMBL11254844 0.83 OPRD1 (0.43) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29418152 0.83 OPRD1 (0.43) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10192226 0.83 KDM4E (0.41) HTR2ACYP2D6CYP1A2PKMTSHR
SCHEMBL7417868 0.83 KDM4E (0.41) HTR2ACYP2D6CYP1A2PKMTSHR
Hydrochloric Acid SCHEMBL3226548 0.82 OPRD1 (0.42) OPRD1HDAC3HDAC4HDAC1HDAC7

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 OPRD1 240/4885HDAC3 637/4885HDAC4 807/4885

“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.