SCHEMBL14718937

SCHEMBL14718937

C[C@@H](O)Cc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.41
AOC3 Q16853 1/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC1A2 P43004 1/20 0.39

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
SCHEMBL2425148 1.00 TAAR1 (0.45) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL15082795 1.00 TAAR1 (0.45) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL5988255 0.84 GABRA1 (0.46) TAAR1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL27565475 0.83 GABRA1 (0.41) ALDH1A1GABRA1GABRB2
SCHEMBL5680506 0.83 TAAR1 (0.42) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL139640 0.82 GABRA1 (0.52) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL18901781 0.82 TAAR1 (0.48) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL5681973 0.81 TAAR1 (0.43) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL6200987 0.80 TAAR1 (0.46) TAAR1IDO1ALDH1A1AOC3SLC6A2
SCHEMBL10586668 0.79 TAAR1 (0.52) TAAR1IDO1ALDH1A1AOC3SLC6A2

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 15 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
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
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US 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

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 TAAR1 75/4885IDO1 2450/4885ALDH1A1 465/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 TAAR1 1120/4885IDO1 1656/4885ALDH1A1 2215/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 TAAR1 1120/4885IDO1 1656/4885ALDH1A1 2215/4885

“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.