SCHEMBL3422397

SCHEMBL3422397

Clc1cc(OCc2ccc3ccccc3n2)ccc1COc1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.59
CYSLTR1 Q9Y271 7/20 0.49
GPBAR1 Q8TDU6 7/20 0.49
CYSLTR2 Q9NS75 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALOX5AP P20292 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6027036 0.84 PDE10A (0.59) PDE10ACYSLTR1GPBAR1CYSLTR2NPC1
SCHEMBL8802103 0.79 CYSLTR1 (0.64) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL6027127 0.77 KDM4E (0.55) NPC1RAB9ATP53MAPTMAPK1
SCHEMBL10686237 0.77 PDE10A (0.68) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL6021515 0.75 RAB9A (0.67) NPC1RAB9ATP53MAPTMAPK1
SCHEMBL10662425 0.73 CYSLTR1 (0.61) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL10512475 0.72 PDE10A (0.77) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL10510977 0.72 CYSLTR1 (0.69) PDE10ACYSLTR1GPBAR1CYSLTR2TP53
SCHEMBL8799860 0.72 PDE10A (0.60) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL6087603 0.70 CYSLTR1 (0.64) PDE10ACYSLTR1GPBAR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076037-A1 Methods of Treating Neuropathic Pain with Agonists of PPAR-gamma AESTUS THERAPEUTICS, INC. 2010-03-25 US claimed
EP-2089023-A2 METHODS OF TREATING NEUROPATHIC PAIN WITH AGONISTS OF PPAR-GAMMA Aestus Therapeutics, Inc. (US) 2009-08-19 EP claimed
WO-2008063842-A2 METHODS OF TREATING NEUROPATHIC PAIN WITH AGONISTS OF PPAR-GAMMA AESTUS THERAPEUTICS, INC. (US) 2008-05-29 WO claimed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP claimed
US-20030186985-A1 Oxyiminoalkanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US claimed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP claimed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 WO claimed
US-20100076037-A1 Methods of Treating Neuropathic Pain with Agonists of PPAR-gamma AESTUS THERAPEUTICS, INC. 2010-03-25 US disclosed
EP-2089023-A2 METHODS OF TREATING NEUROPATHIC PAIN WITH AGONISTS OF PPAR-GAMMA Aestus Therapeutics, Inc. (US) 2009-08-19 EP disclosed
WO-2008063842-A2 METHODS OF TREATING NEUROPATHIC PAIN WITH AGONISTS OF PPAR-GAMMA AESTUS THERAPEUTICS, INC. (US) 2008-05-29 WO disclosed
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
CN-1300285-A Hydroxyiminoalkanoic Acid Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 CN disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 WO disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 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 (2 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-20030186985-A1 Oxyiminoalkanoic acid derivatives GPR119, IRS1, CPT1A PDE10A 1824/4885CYSLTR1 2672/4885GPBAR1 418/4885
US-20100076037-A1 Methods of Treating Neuropathic Pain with Agonists of PPAR-gamma PPARG, PPARA, PPARD PDE10A 981/4885CYSLTR1 431/4885GPBAR1 76/4885

“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.