SCHEMBL863778

SCHEMBL863778

O=C1CCCN2CCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL3 Q96JM7 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MPO P05164 1/20 0.33
HTR6 P50406 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL863645 0.94 MAPK1 (0.42) MAPK1L3MBTL3L3MBTL1OPRM1OPRL1
SCHEMBL94206 0.91 MAPK1 (0.43) MAPK1KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL7003240 0.91 MAPK1 (0.43) MAPK1KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL5250892 0.91 MAPK1 (0.43) MAPK1KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL11008209 0.91 MAPK1 (0.43) MAPK1KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL11003669 0.89 MAPK1 (0.42) MAPK1L3MBTL3L3MBTL1OPRM1OPRL1
SCHEMBL1822607 0.89 MAPK1 (0.45) MAPK1ALDH1A1L3MBTL3L3MBTL1CTDSP1
SCHEMBL30761740 0.88 MAPK1 (0.41) MAPK1ALDH1A1L3MBTL3L3MBTL1OPRM1
SCHEMBL30475621 0.88 MAPK1 (0.41) MAPK1ALDH1A1L3MBTL3L3MBTL1OPRM1
SCHEMBL132894 0.85 MAPK1 (0.42) MAPK1L3MBTL3L3MBTL1OPRM1OPRL1

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 MAPK1 2563/4885KDM4E 2281/4885ALDH1A1 1972/4885

“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.