SCHEMBL895572

SCHEMBL895572

C[C@@H](N)CCc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.63
TAAR1 Q96RJ0 4/20 0.63
ESR1 P03372 2/20 0.54
ESR2 Q92731 1/20 0.54
KDM4E B2RXH2 4/20 0.52
ADRA2A P08913 3/20 0.52
HTR3A P46098 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 1/20 0.52
CYP2C19 P33261 1/20 0.52
BACE1 P56817 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.50
OPRK1 P41145 2/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRB2 P07550 2/20 0.49
CA2 P00918 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL44507 1.00 SLC6A2 (0.63) SLC6A2TAAR1ESR1ESR2KDM4E
SCHEMBL896162 1.00 SLC6A2 (0.63) SLC6A2TAAR1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL25262545 0.98 TAAR1 (0.61) SLC6A2TAAR1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL11481635 0.98 TAAR1 (0.61) SLC6A2TAAR1ESR1ESR2KDM4E
1,2-Dichloroethane SCHEMBL27685856 0.92 TAAR1 (0.55) SLC6A2TAAR1ESR1ESR2KDM4E
SCHEMBL5935521 0.83 TRPA1 (0.58) SLC6A2TAAR1ESR1KDM4EADRA2A
Hydrochloric Acid SCHEMBL4745937 0.83 TAAR1 (0.54) SLC6A2TAAR1KDM4EADRA2AHTR1A
Hydrochloric Acid SCHEMBL4748365 0.82 KDM4E (0.57) SLC6A2TAAR1ESR1KDM4EADRA2A
SCHEMBL104626 0.82 ESR1 (0.59) SLC6A2TAAR1ESR1ESR2KDM4E
SCHEMBL13698055 0.80 ESR1 (0.56) SLC6A2TAAR1ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 US disclosed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 EP disclosed
US-20140371456-A1 Enzymatic Transamination of Cyclopamine Analogs ROYALTY SECURITY, LLC 2014-12-18 US disclosed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
CN-102574791-A Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS INC 2012-07-11 CN disclosed
EP-2462115-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS Infinity Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
US-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-04-05 US disclosed
WO-2011017551-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-0987332-B1 DNA encoding a polypeptide having stereoselective transaminase activity, and transformants comprising said DNA KANEKA CORP (JP) 2009-08-19 EP disclosed
US-6344351-B2 USING (R)-FORM-SPECIFIC TRANSAMINASE WITH KETONE AMINO ACCEPTOR AND AMINO DONOR; ANTIDIABETES AND ANTIOBESITY AGENTS KANEKA CORPORATION (JP) 2002-02-05 US disclosed
US-20010031487-A1 Process for producing optically active amino compounds KANEKA CORPORATION 2001-10-18 US disclosed
US-6221638-B1 BY STEREOSELECTIVELY CARRYING OUT AMINO GROUP TRANSFER BY ACTION OF AN (R)-FORM-SPECIFIC TRANSAMINASE IN THE CO-PRESENCE OF A KETONE (AMINO ACCEPTOR) AND AMINO COMPOUND (AMINO DONOR); YIELDS AMINO COMPOUNDS HAIVNG ARYL GROUP AT THE 1-POSITION KANEKA CORPORATION (JP) 2001-04-24 US disclosed
EP-0987332-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS Kaneka Corporation (JP) 2000-03-22 EP disclosed
EP-0857790-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORPORATION (JP) 1998-08-12 EP disclosed
EP-0254856-B1 PYRIDINETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
US-4988714-A Drugs for treatment of obesity and diabetics, increases protein breakdown, for fattening animals HOFFMANN-LA ROCHE INC. (US) 1991-01-29 US disclosed
US-4800206-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-01-24 US disclosed
EP-0254856-A2 Pyridinethanol amine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-02-03 EP disclosed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 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 (2 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-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE SLC6A2 3119/4885TAAR1 2537/4885ESR1 4827/4885
US-20140371456-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE SLC6A2 3119/4885TAAR1 2537/4885ESR1 4827/4885

“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.