SCHEMBL2079265

SCHEMBL2079265

C=C[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ANPEP P15144 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
LAP3 P28838 3/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 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
SCHEMBL24931234 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL433275 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL3805711 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL3805714 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Water SCHEMBL3478299 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
Phenethylamine SCHEMBL8068648 0.89 TAAR1 (0.57) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL20329452 0.88 TAAR1 (0.47) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL902538 0.81 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2736329 0.81 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL7307677 0.81 EPHX1 (0.61) EPHX1SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905264-B A method of synthesis A Zhalawei intermediate 连云港杰瑞药业有限公司 2019-06-07 CN claimed
CN-106905264-A A kind of method of synthesis A Zhalawei intermediates 连云港杰瑞药业有限公司 2017-06-30 CN claimed
JP-7247246-A None JP disclosed
US-10583137-B2 Triazole DAGLα inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-03-10 US disclosed
CN-106905264-B A method of synthesis A Zhalawei intermediate 连云港杰瑞药业有限公司 2019-06-07 CN disclosed
CN-106905264-B A method of synthesis A Zhalawei intermediate 连云港杰瑞药业有限公司 2019-06-07 CN disclosed
US-20180344729-A1 TRIAZOLE DAGLAlpha INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2018-12-06 US disclosed
CN-106905264-A A kind of method of synthesis A Zhalawei intermediates 连云港杰瑞药业有限公司 2017-06-30 CN disclosed
WO-2017096315-A1 TRIAZOLE DAGL(α) INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-08 WO disclosed
WO-2017096315-A1 TRIAZOLE DAGL(α) INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-08 WO disclosed
US-20130116457-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES AEROJET FINE CHEMICALS LLC (US) 2013-05-09 US disclosed
WO-1992006992-A2 NEW PROCESS FOR BIOPHOSPHORYLATING ORGANIC COMPOUNDS MERCK & CO., INC. (US) 1992-04-30 WO disclosed
EP-0482797-A1 Inhibitors of HIV protease MERCK & CO. INC. (US) 1992-04-29 EP disclosed
EP-0480711-A1 Inhibitors of HIV protease MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0480624-A1 Inhibitors of HIV protease MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0472077-A2 Phosphonate containing hydroxyethylamin- and norstatin-type pseudopeptides BAYER AG (DE) 1992-02-26 EP disclosed
CN-1053607-A The human immunity that is used for the treatment of AIDS lacks the inhibitor of virus protease MERCK & CO INC (US) 1991-08-07 CN disclosed
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 EP disclosed
EP-0356223-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1990-02-28 EP disclosed
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 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 (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-10583137-B2 Triazole DAGLα inhibitors DAGLB, DAGLA, DGKB EPHX1 574/4885SLC6A2 4617/4885TAAR1 1033/4885
US-20130116457-A1 CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES SRMS, HCK, BHMT2 EPHX1 45/4885SLC6A2 3986/4885TAAR1 2357/4885
US-20180344729-A1 TRIAZOLE DAGLAlpha INHIBITORS DAGLB, DAGLA, DGKB EPHX1 553/4885SLC6A2 4663/4885TAAR1 1348/4885

“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.