SCHEMBL863645

SCHEMBL863645

O=C1CCCN2CCCCC2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
HTR6 P50406 1/20 0.39
L3MBTL3 Q96JM7 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MBTD1 Q05BQ5 1/20 0.34
TP53BP1 Q12888 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
CYP2D6 P10635 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
SCHEMBL30761740 0.94 MAPK1 (0.41) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL30475621 0.94 MAPK1 (0.41) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL11008209 0.94 MAPK1 (0.43) MAPK1HTR6L3MBTL3L3MBTL1MBTD1
SCHEMBL863778 0.94 MAPK1 (0.43) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL11003669 0.92 MAPK1 (0.42) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL132894 0.92 MAPK1 (0.42) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL1822607 0.87 MAPK1 (0.45) MAPK1L3MBTL3L3MBTL1OPRM1OPRL1
SCHEMBL7003240 0.85 MAPK1 (0.43) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL94206 0.85 MAPK1 (0.43) MAPK1HTR6L3MBTL3L3MBTL1OPRM1
SCHEMBL5250892 0.85 MAPK1 (0.43) MAPK1HTR6L3MBTL3L3MBTL1OPRM1

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 9 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
US-5552398-A TREATMENT OF IRRITABLE BOWEL DIARRHEA SMITHKLINE BEECHAM P.L.C. (GB) 1996-09-03 US disclosed
EP-0603220-A1 AZABICYCLIC COMPOUNDS AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed
WO-1993005040-A1 AZABICYCLIC COMPOUNDS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-18 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 MAPK1 2563/4885HTR6 82/4885L3MBTL3 2741/4885

“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.