SCHEMBL5544652

SCHEMBL5544652

[CH2]CCc1cccc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.57
GPR84 Q9NQS5 1/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NR4A2 P43354 1/20 0.42
GGPS1 O95749 2/20 0.42
AOC3 Q16853 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PRKCI P41743 1/20 0.41
BACE1 P56817 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL5546178 0.88 AGXT (0.53) AGXTGPR84FFAR1AKR1B1FFAR4
SCHEMBL3035756 0.86 AGXT (0.52) AGXTGPR84FFAR1AKR1B1FFAR4
SCHEMBL27602309 0.84 GRIN2D (0.44) AGXTFFAR1AKR1B1FFAR4GGPS1
SCHEMBL27523912 0.84 MAOB (0.46) AGXTNR4A2AOC3MAOBTAAR1
SCHEMBL27550304 0.84 AGXT (0.62) AGXTCYP11B1CYP11B2MAOBTAAR1
SCHEMBL27522413 0.84 TAAR1 (0.55) AGXTHRH3MAOBTAAR1
SCHEMBL5543381 0.84 AGXT (0.50) AGXTGPR84FFAR1AKR1B1FFAR4
SCHEMBL330073 0.82 AGXT (0.55) AGXTGGPS1AOC3HRH3CYP11B1
SCHEMBL27548737 0.82 TAAR1 (0.52) AGXTFFAR1CYP11B1CYP11B2TAAR1
SCHEMBL7769298 0.80 ABL1 (0.54) FFAR1MAOBTAAR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104788409-A Method for synthesizing perfluoroalkyl furyl ketone UNIV ZHEJIANG 2015-07-22 CN disclosed
CN-102643168-B Method for preparing 3, 3- diphenyl propanol HUBEI YUANCHENG PHARMACEUTICAL 2014-07-30 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102643168-A Method for preparing 3, 3- diphenyl propanol HUBEI YUANCHENG PHARMACEUTICAL 2012-08-22 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1571767-A Process for the preparation of tolterodine RANBAXY LAB LTD (IN) 2005-01-26 CN disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AGXT 2967/4885GPR84 318/4885FFAR1 105/4885

“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.