SCHEMBL22608279

SCHEMBL22608279

O=C1CC[C@@H](C(=O)O)N(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM6 O15303 1/20 0.48
▸ CYP19A1 P11511 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL29053804 1.00 GRM6 (0.48) GRM6CYP19A1SIGMAR1ACES1PR1
SCHEMBL29053803 1.00 GRM6 (0.48) GRM6CYP19A1SIGMAR1ACES1PR1
Hydrochloric Acid SCHEMBL28591031 0.98 GRM6 (0.47) GRM6CYP19A1SIGMAR1ACES1PR1
Hydrochloric Acid SCHEMBL28591027 0.98 GRM6 (0.47) GRM6CYP19A1SIGMAR1ACES1PR1
Hydrochloric Acid SCHEMBL28608849 0.98 GRM6 (0.47) GRM6CYP19A1SIGMAR1ACES1PR1
SCHEMBL29053802 0.88 LMNA (0.41) CYP19A1SIGMAR1S1PR5ALDH1A1
Hydrochloric Acid SCHEMBL28591478 0.87 LMNA (0.40) CYP19A1SIGMAR1S1PR5ALDH1A1
SCHEMBL22608386 0.85 FKBP1A (0.52) CYP19A1SIGMAR1ALDH1A1KMT2A
SCHEMBL8044487 0.84 GRM6 (0.50) GRM6CYP19A1ACES1PR1S1PR5
SCHEMBL27245241 0.84 GRM6 (0.50) GRM6CYP19A1ACES1PR1S1PR5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135850-B Preparation method of chiral oxo-azacycloalkane compound with high optical purity 新发药业有限公司 2023-08-22 — — CN claimed
CN-113135850-B Preparation method of chiral oxo-azacycloalkane compound with high optical purity 新发药业有限公司 2023-08-22 — — CN disclosed
EP-3733648-B1 METHOD FOR PREPARING 5R-BENZYLOXYAMINOPIPERIDIN-2S-CARBOXYLIC ACID OR DERIVATIVE THEREOF XINFA PHARMACEUTICAL CO LTD (CN) 2022-06-08 — — EP disclosed
US-20210323920-A1 METHOD OF PREPARING 5R-[(BENZYLOXY) AMINO] PIPERIDINE-2S-CARBOXYLIC ACID OR A DERIVATIVE THEREOF XINFA PHARMACEUTICAL CO., LTD (CN) 2021-10-21 — — US disclosed
US-11142499-B1 Method of preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylic acid or a derivative thereof XINFA PHARMACEUTICAL CO., LTD (CN) 2021-10-12 — — US disclosed
CN-109970625-B Preparation method of 5R-benzyloxyaminopiperidine-2S-formic acid or derivative thereof 新发药业有限公司 2021-02-26 — — CN disclosed
EP-3733648-A1 METHOD FOR PREPARING 5R-BENZYLOXYAMINOPIPERIDIN-2S-CARBOXYLIC ACID OR DERIVATIVE THEREOF Xinfa Pharmaceutical Co., Ltd (CN) 2020-11-04 — — 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-11142499-B1 Method of preparing 5R-[(benzyloxy) amino] piperidine-2S-carboxylic acid or a derivative thereof GLUL, GRIN2D, GRIN2C GRM6 126/4885CYP19A1 4429/4885SIGMAR1 3061/4885
US-20210323920-A1 METHOD OF PREPARING 5R-[(BENZYLOXY) AMINO] PIPERIDINE-2S-CARBOXYLIC ACID OR A DERIVATIVE THEREOF GLUL, GRIN2D, GRIN2C GRM6 126/4885CYP19A1 4429/4885SIGMAR1 3061/4885

“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.

Send feedback