SCHEMBL605244

SCHEMBL605244

C[C@@H](N)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.60
TAAR1 Q96RJ0 3/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
CYP2A6 P11509 2/20 0.60
MAOA P21397 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
ANPEP P15144 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
ERAP2 Q6P179 1/20 0.52
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
POLB P06746 1/20 0.47
AOC3 Q16853 1/20 0.47
EPHX1 P07099 1/20 0.46

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
SCHEMBL894528 1.00 SLC6A2 (0.60) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
SCHEMBL1280 1.00 SLC6A2 (0.60) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
SCHEMBL30913000 1.00 SLC6A2 (0.60) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Ammonia Solution, Strong SCHEMBL5682054 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Ammonia Solution, Strong SCHEMBL20773844 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrochloric Acid SCHEMBL10973407 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrogen Sulfide SCHEMBL28135421 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrochloric Acid SCHEMBL4752502 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Iodide SCHEMBL29195325 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrochloric Acid SCHEMBL10976633 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110656095-B Leucine dehydrogenase mutant and application thereof in synthesis of aromatic chiral amine 江南大学 2021-05-04 CN claimed
EP-3354727-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2020-10-07 EP claimed
CN-110656095-A Leucine dehydrogenase mutant and application thereof in synthesis of aromatic chiral amine 江南大学 2020-01-07 CN claimed
EP-3354727-A1 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2018-08-01 EP claimed
EP-2385983-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2017-12-20 EP claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-2385983-A2 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2011-11-16 EP claimed
US-D646886-S1 Tip of an umbrella Pro Performance Sports, L.L.C. (US) 2011-10-18 US claimed
US-20100209981-A1 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-08-19 US claimed
WO-2010081053-A2 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-07-15 WO claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-0857790-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORP (JP) 2005-08-17 EP claimed
US-20010031487-A1 Process for producing optically active amino compounds KANEKA CORPORATION 2001-10-18 US claimed
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 claimed
EP-0987332-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS Kaneka Corporation (JP) 2000-03-22 EP claimed
EP-0857790-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORPORATION (JP) 1998-08-12 EP claimed
EP-0396596-A1 PROCESSES AND COMPOUNDS USEFUL FOR RESOLVING 1-METHYL-3-PHENYLPROPYLAMINE SCHERING CORPORATION (US) 1990-11-14 EP claimed
WO-1989005787-A2 PROCESSES AND COMPOUNDS USEFUL FOR RESOLVING 1-METHYL-3-PHENYLPROPYLAMINE SCHERING CORPORATION (US) 1989-06-29 WO claimed
EP-0320898-A2 Processes and compounds useful for resolving 1-methyl-3-phenylpropylamine SCHERING CORPORATION (US) 1989-06-21 EP claimed

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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC6A2 4293/4885TAAR1 2357/4885SLC6A4 2681/4885

“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.