SCHEMBL1768681

SCHEMBL1768681

O=C(O)[C@@H]1C[C@H](OCc2ccccc2)CN1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.44
GRIK1 P39086 3/20 0.43
AGTR2 P50052 2/20 0.43
GRIA2 P42262 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL16920345 1.00 CTSC (0.44) CTSCGRIK1AGTR2GRIA2ALDH1A1
SCHEMBL1006317 1.00 CTSC (0.44) CTSCGRIK1AGTR2GRIA2ALDH1A1
SCHEMBL6374726 1.00 CTSC (0.44) CTSCGRIK1AGTR2GRIA2ALDH1A1
SCHEMBL1006306 1.00 CTSC (0.44) CTSCGRIK1AGTR2GRIA2ALDH1A1
SCHEMBL5802417 1.00 CTSC (0.44) CTSCGRIK1AGTR2GRIA2ALDH1A1
SCHEMBL1006316 1.00 CTSC (0.44) CTSCGRIK1AGTR2GRIA2ALDH1A1
Hydrochloric Acid SCHEMBL7449326 0.98 GRIK1 (0.45) CTSCGRIK1AGTR2GRIA2CTSL
Hydrochloric Acid SCHEMBL5862746 0.98 GRIK1 (0.45) CTSCGRIK1AGTR2GRIA2CTSL
Hydrochloric Acid SCHEMBL5862743 0.98 GRIK1 (0.45) CTSCGRIK1AGTR2GRIA2CTSL
SCHEMBL8881468 0.93 CTSC (0.40) CTSCGRIK1AGTR2GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO disclosed
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 CN disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 EP disclosed
CN-105324390-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-10-19 CN disclosed
CN-105849119-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-01-19 CN disclosed
US-10829520-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2020-11-10 US disclosed
US-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2020-07-23 US disclosed
US-10654897-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2020-05-19 US disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-0797577-B1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMA (CA) 2000-07-26 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
US-5703072-A TREATMENT OF SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS (CA) 1997-12-30 US disclosed
EP-0804465-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-05 EP disclosed
EP-0797577-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY Allelix Biopharmaceuticals Inc. (CA) 1997-10-01 EP disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO 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-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS BET1, BACH1, POLL CTSC 1055/4885GRIK1 2981/4885AGTR2 2129/4885
US-10654897-B2 β-hairpin peptidomimetics BACE1, C1S, POLL CTSC 1153/4885GRIK1 3438/4885AGTR2 1800/4885
US-10829520-B2 Beta-hairpin peptidomimetics POLQ, POLL, POLM CTSC 1598/4885GRIK1 4041/4885AGTR2 2505/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CTSC 1176/4885GRIK1 3418/4885AGTR2 2036/4885

“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.