SCHEMBL330100

SCHEMBL330100

[S]CCCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2A6 P11509 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
SLC6A4 P31645 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
BCHE P06276 2/20 0.44
MC3R P41968 1/20 0.43

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
SCHEMBL130253 0.94 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL132304 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL133842 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL127104 0.87 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418669 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30746339 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418043 0.85 SIGMAR1 (0.66) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL29560700 0.82 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6240981 0.82 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL29477161 0.81 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
EP-1833824-B1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2016-08-03 EP disclosed
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. 2015-11-05 US disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 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 (6 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 SIGMAR1 2842/4885CYP1A2 1723/4885CYP2A6 1746/4885
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 SIGMAR1 79/4885CYP1A2 332/4885CYP2A6 261/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SIGMAR1 234/4885CYP1A2 23/4885CYP2A6 94/4885
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 SIGMAR1 378/4885CYP1A2 1797/4885CYP2A6 1839/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 SIGMAR1 1372/4885CYP1A2 30/4885CYP2A6 33/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 SIGMAR1 234/4885CYP1A2 23/4885CYP2A6 94/4885

“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.