SCHEMBL2885555

SCHEMBL2885555

O=C1CCN(C(=O)O)[C@H]2CCCC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 7/20 0.33
MT-CO2 P00403 3/20 0.33
ALOX5 P09917 3/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL2888368 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL2885557 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL2885558 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL6107095 0.87 HSD11B1 (0.38) ALDH1A1TSHRHSD11B1MT-CO2ALOX5
SCHEMBL6107867 0.87 HSD11B1 (0.41) ALDH1A1TSHRHSD11B1
SCHEMBL6107480 0.87 HSD11B1 (0.38) ALDH1A1TSHRHSD11B1MT-CO2ALOX5
SCHEMBL6107873 0.87 HSD11B1 (0.41) ALDH1A1TSHRHSD11B1
SCHEMBL6107096 0.87 HSD11B1 (0.38) ALDH1A1TSHRHSD11B1MT-CO2ALOX5
SCHEMBL6107872 0.87 HSD11B1 (0.41) ALDH1A1TSHRHSD11B1
SCHEMBL6107091 0.87 HSD11B1 (0.38) ALDH1A1TSHRHSD11B1MT-CO2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK SHARP & DOHME CORP. 2010-04-22 US disclosed
EP-2124568-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-12-02 EP disclosed
WO-2008088744-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-24 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 (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-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 ALDH1A1 2406/4885TSHR 709/4885KDM4E 2043/4885

“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.