SCHEMBL3459705

SCHEMBL3459705

CCc1ccccc1C[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 3/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13692275 1.00 GABRA1 (0.44) GABRA1GABRB2SLC6A2SLC6A4TRPA1
SCHEMBL5988255 0.91 GABRA1 (0.46) GABRA1GABRB2SLC6A2SLC6A4TRPA1
SCHEMBL31607250 0.83 PPARA (0.44) GABRA1GABRB2TRPA1LMNA
SCHEMBL28052525 0.82 GABRA1 (0.40) GABRA1GABRB2SLC6A2SLC6A4TRPA1
SCHEMBL1129263 0.82 CYP2D6 (0.41) GABRA1GABRB2SLC6A2SLC6A4TRPA1
SCHEMBL4960855 0.81 GABRA1 (0.54) GABRA1GABRB2SLC6A2SLC6A4ALOX15
SCHEMBL8678043 0.80 SLC6A4 (0.45) SLC6A2SLC6A4LMNAALDH1A1POLB
SCHEMBL8677026 0.79 TSHR (0.44) LMNAALDH1A1POLBHTTL3MBTL1
SCHEMBL9080018 0.78 TDP1 (0.38) GABRA1GABRB2SLC6A2SLC6A4TRPA1
SCHEMBL6464989 0.77 GABRA1 (0.40) GABRA1GABRB2TRPA1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834233-B1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORP (FI) 2018-04-25 EP disclosed
CN-104220437-B The adrenoceptor agonists of α 2 奥赖恩公司 2017-11-10 CN disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
CN-102036990-B Novel tyrosine kinase inhibitors CHEMBRIDGE CORP. (US) 2015-09-30 CN disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2015-03-05 US disclosed
EP-2834233-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS Orion Corporation (FI) 2015-02-11 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
CN-104220437-A New alpha2 adrenoceptor agonists ORION CORP 2014-12-17 CN disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
WO-2013150173-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2013-10-10 WO disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
CN-102036990-A Novel tyrosine kinase inhibitors CHEMBRIDGE CORP 2011-04-27 CN disclosed
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 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 (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-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ADRA2A, ADRB2, ADRA2C GABRA1 236/4885GABRB2 209/4885SLC6A2 291/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 GABRA1 2020/4885GABRB2 1987/4885SLC6A2 900/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 GABRA1 2020/4885GABRB2 1987/4885SLC6A2 900/4885

“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.