SCHEMBL863841

SCHEMBL863841

c1ccc2c(c1)CCN(Cc1ccc3c(c1)CC1(CCN4CCCCC4C1)O3)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 7/20 0.38
ALDH1A1 P00352 4/20 0.38
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7856756 1.00 DRD2 (0.41) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL10191847 1.00 DRD2 (0.41) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL10191846 1.00 DRD2 (0.41) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL7856753 1.00 DRD2 (0.41) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL7856749 1.00 DRD2 (0.41) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL7856335 0.97 DRD2 (0.42) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL863928 0.96 PRMT5 (0.38) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL863703 0.94 ALDH1A1 (0.39) DRD2HTR2ASIGMAR1ALDH1A1PRMT5
SCHEMBL863482 0.93 DRD2 (0.41) DRD2HTR2ASIGMAR1HRH3ALDH1A1
SCHEMBL863620 0.90 DRD2 (0.42) DRD2HTR2ASIGMAR1HRH3ALDH1A1

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 6 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
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
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 DRD2 194/4885HTR2A 83/4885SIGMAR1 179/4885

“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.