SCHEMBL863893

SCHEMBL863893

O=C1CCC2CCCCN2CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.41
L3MBTL1 Q9Y468 8/20 0.41
HTR6 P50406 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
TP53BP1 Q12888 2/20 0.38
MBTD1 Q05BQ5 3/20 0.38
L3MBTL4 Q8NA19 1/20 0.38

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
SCHEMBL864488 0.94 L3MBTL3 (0.40) L3MBTL3L3MBTL1OPRM1OPRL1TP53BP1
SCHEMBL6628090 0.91 OPRM1 (0.43) L3MBTL3L3MBTL1MEN1KMT2AOPRM1
SCHEMBL7320872 0.91 L3MBTL3 (0.45) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL1181799 0.89 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1
SCHEMBL10538464 0.89 L3MBTL3 (0.44) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4
SCHEMBL7633925 0.89 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1
SCHEMBL7634170 0.89 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1
SCHEMBL551401 0.89 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1
SCHEMBL21047675 0.89 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1
SCHEMBL7314532 0.89 L3MBTL3 (0.44) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4

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 15 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
EP-0978514-B1 Indazole derivatives as 5-HT1F agonists LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-1089993-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2003-10-22 EP disclosed
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed
US-6358972-B1 FOR THERAPY OF MIGRAINE ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-6133290-A 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
EP-0978514-A1 Indazole derivatives as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-02-09 EP disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP 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 L3MBTL3 2741/4885L3MBTL1 2713/4885HTR6 82/4885

“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.