SCHEMBL670331

SCHEMBL670331

c1ccc(C(c2ccccc2)[C@H]2CCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.53
SLC6A2 P23975 6/20 0.53
SLC6A4 P31645 5/20 0.53
DHFR P00374 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2842321 1.00 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2844473 1.00 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL10326815 0.94 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL10326817 0.94 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL729266 0.94 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL31327361 0.92 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL12996843 0.91 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL9915339 0.91 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL10326261 0.89 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL10326440 0.89 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107667097-B Separation of enantiomers of 3-ethylbicyclo [3.2.0] hept-3-en-6-one 诺瓦色生物公司 2021-02-12 CN claimed
EP-3303308-B1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY SA (CH) 2019-10-09 EP claimed
US-10150723-B2 Separation of enantiomers of 3-ethylbicyclo[3.2.0]hept-3-en-6-one NOVASSAY S.A. (CH) 2018-12-11 US claimed
US-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY S.A. (CH) 2018-05-17 US claimed
CN-115745764-B Preparation method of milbelin intermediate 重庆华森制药股份有限公司 2024-03-12 CN disclosed
CN-115745764-A Preparation method of milobalin intermediate 重庆华森制药股份有限公司 2023-03-07 CN disclosed
CN-107667097-B Separation of enantiomers of 3-ethylbicyclo [3.2.0] hept-3-en-6-one 诺瓦色生物公司 2021-02-12 CN disclosed
EP-3303308-B1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY SA (CH) 2019-10-09 EP disclosed
US-10150723-B2 Separation of enantiomers of 3-ethylbicyclo[3.2.0]hept-3-en-6-one NOVASSAY S.A. (CH) 2018-12-11 US disclosed
US-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY S.A. (CH) 2018-05-17 US disclosed
US-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY S.A. (CH) 2018-05-17 US disclosed
US-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY S.A. (CH) 2018-05-17 US disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 EP disclosed
US-7884223-B2 N-isopropylphenethylamine; N-(2,6-dimethoxybenzyl)1-phenethylamine; (R,R) N-(1-naphth-1-ylethyl)-1-phenethylamine; high activity; easily accessible DSM IP ASSETS B.V. (NL) 2011-02-08 US disclosed
US-7884223-B2 N-isopropylphenethylamine; N-(2,6-dimethoxybenzyl)1-phenethylamine; (R,R) N-(1-naphth-1-ylethyl)-1-phenethylamine; high activity; easily accessible DSM IP ASSETS B.V. (NL) 2011-02-08 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
EP-1824868-B1 CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM IP ASSETS BV (NL) 2010-06-02 EP disclosed
WO-2009147843-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2009-12-10 WO disclosed
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation PATHEON HOLDINGS I B.V. (NL) 2008-10-30 US 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 (4 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 SLC6A3 4843/4885SLC6A2 4820/4885SLC6A4 4697/4885
US-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE ALDH7A1, OPRK1, SCN3A SLC6A3 1750/4885SLC6A2 1257/4885SLC6A4 2620/4885
US-10150723-B2 Separation of enantiomers of 3-ethylbicyclo[3.2.0]hept-3-en-6-one ALDH7A1, OPRK1, SCN3A SLC6A3 1750/4885SLC6A2 1257/4885SLC6A4 2620/4885
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation SLC30A6, SLC39A14, SLC30A5 SLC6A3 370/4885SLC6A2 626/4885SLC6A4 375/4885

“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.