SCHEMBL4886256

SCHEMBL4886256

CCc1cccc(C)c1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 3/20 0.48
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL148754 0.86 PDCD1 (0.45) GABRA1GABRB2CYP3A4CYP1A2CYP2C19
SCHEMBL320050 0.86 GABRA1 (0.56) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL169506 0.84 GABRA1 (0.48) GABRA1GABRB2CYP3A4CYP1A2CYP2D6
SCHEMBL3258673 0.84 GABRA1 (0.48) GABRA1GABRB2CYP3A4CYP1A2CYP2D6
SCHEMBL11312776 0.83 GABRA1 (0.45) GABRA1GABRB2CYP3A4CYP1A2CYP2D6
SCHEMBL13180248 0.83 GABRA1 (0.43) GABRA1GABRB2CYP1A2PTGS2GABRG2
SCHEMBL17417172 0.82 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL15122404 0.82 GABRA1 (0.46) GABRA1GABRB2CYP3A4CYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL7055042 0.82 GABRA1 (0.46) GABRA1GABRB2CYP3A4CYP1A2CYP2D6
Methylamine SCHEMBL27931104 0.82 GABRA1 (0.46) GABRA1GABRB2CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1861095-A1 DERIVATIVES OF IMIDAZO(1,2-A)PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2007-12-05 EP disclosed
WO-2006100119-A1 DERIVATIVES OF IMIDAZO (1,2-A) PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2006-09-28 WO disclosed
EP-0906288-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2002-11-06 EP disclosed
US-6465505-B1 SUCH AS 4-(2,6-DIMETHYLBENZYLAMINO OR BENZYLOXY)-2-METHYL BENZIMIDAZOLE; INHIBITING EXOGENOUS OR ENDOGENOUS STIMULATED GASTRIC ACID SECRETION; PREVENTION AND TREATMENT OF GASTRO-INTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
EP-0906288-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1999-04-07 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed
WO-1997047603-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1997-12-18 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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 GABRA1 2030/4885GABRB2 2046/4885CYP3A4 215/4885

“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.