SCHEMBL294785

SCHEMBL294785

CC(C)(Cc1ccccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
FDPS P14324 1/20 0.51
PTPRA P18433 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL29694017 1.00 CYP1A2 (0.53) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL9092131 1.00 CYP1A2 (0.53) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL7887713 0.86 CYP1A2 (0.53) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL27875620 0.86 CYP1A2 (0.53) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL7549451 0.84 CYP1A2 (0.51) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL8503990 0.83 CYP1A2 (0.70) CYP1A2PTPRASMN1; SMN2ALDH1A1TSHR
SCHEMBL7886018 0.83 CYP1A2 (0.50) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL6638562 0.81 FDPS (0.54) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL8862654 0.81 FDPS (0.47) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1
SCHEMBL5820534 0.81 FDPS (0.47) CYP1A2FDPSPTPRASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084227-A Rapamycin analogs and their use for treating neurological disorders, proliferative and inflammatory diseases WYETH CORP (US) 2007-12-05 CN claimed
EP-0730598-B1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PROD (US) 1999-06-09 EP claimed
EP-0730598-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-11 EP claimed
WO-1995014696-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-01 WO claimed
US-5385908-A Hindered esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US claimed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
EP-1828202-B1 RAPAMCYIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL, PROLIFERATIVE AND INFLAMMATORY DISORDERS WYETH LLC (US) 2012-03-14 EP disclosed
CN-101084227-B Rapamycin analogs and their use for treating neurological disorders, proliferative and inflammatory diseases WYETH CORP 2011-11-16 CN disclosed
US-7795252-B2 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders PFIZER INC. (US) 2010-09-14 US disclosed
CN-101626777-A Immunophilin ligands and methods of modulating immunophilin and calcium channel activity WYETH CORP 2010-01-13 CN disclosed
US-20090239855-A1 Rapamycin Analogues and the Uses Thereof in the Treatment of Neurological, Proliferative, and Inflammatory Disorders WYETH (US) 2009-09-24 US disclosed
EP-1828202-A2 RAPAMCYIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGIAL PROLIFERATIVE AND INFLAMMATORY DISORDERS Wyeth a Corporation of the State of Delaware (US) 2007-09-05 EP disclosed
US-20070142423-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders WYETH (US) 2007-06-21 US disclosed
WO-2006068932-A2 RAPAMYCIN ANALOGUES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL, PROLIFERATIVE, AND INFLAMMATORY DISORDERS WYETH (US) 2006-06-29 WO disclosed
US-20060135549-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders WYETH (US) 2006-06-22 US disclosed
EP-0730598-B1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PROD (US) 1999-06-09 EP disclosed
EP-0730598-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-11 EP disclosed
WO-1995014696-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-01 WO disclosed
US-5385908-A Hindered esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US 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 (3 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-20070142423-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders RPTOR, MTOR, RICTOR CYP1A2 4550/4885FDPS 2053/4885PTPRA 2011/4885
US-20060135549-A1 Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders RPTOR, MTOR, RICTOR CYP1A2 4550/4885FDPS 2053/4885PTPRA 2011/4885
US-20090239855-A1 Rapamycin Analogues and the Uses Thereof in the Treatment of Neurological, Proliferative, and Inflammatory Disorders BDNF, MTOR, RICTOR CYP1A2 4777/4885FDPS 1315/4885PTPRA 1309/4885

“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.