SCHEMBL864488

SCHEMBL864488

O=C1CCC2CCCN2CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.40
L3MBTL1 Q9Y468 7/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
TP53BP1 Q12888 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MBTD1 Q05BQ5 2/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL863893 0.94 L3MBTL3 (0.41) L3MBTL3L3MBTL1TP53BP1OPRM1OPRL1
SCHEMBL6628090 0.89 OPRM1 (0.43) L3MBTL3L3MBTL1OPRM1OPRL1MAPK1
SCHEMBL7320872 0.89 L3MBTL3 (0.45) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL20160890 0.89 L3MBTL3 (0.42) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL4213726 0.89 MAPK1 (0.43) L3MBTL3L3MBTL1TP53BP1OPRM1OPRL1
SCHEMBL3880193 0.87 L3MBTL3 (0.39) L3MBTL3L3MBTL1TP53BP1OPRM1OPRL1
SCHEMBL7634170 0.86 OPRM1 (0.46) OPRM1OPRL1MAPK1ALDH1A1
SCHEMBL7633925 0.86 OPRM1 (0.46) OPRM1OPRL1MAPK1ALDH1A1
SCHEMBL551401 0.86 OPRM1 (0.46) OPRM1OPRL1MAPK1ALDH1A1
SCHEMBL21047675 0.86 OPRM1 (0.46) OPRM1OPRL1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114320-A1 FUSED PYRROLIDINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
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 L3MBTL3 2741/4885L3MBTL1 2713/4885NOS3 2391/4885

“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.