SCHEMBL2887859

SCHEMBL2887859

O=C1CCN(C(=O)c2ccccc2)C2CCCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
CNR1 P21554 3/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HSD11B1 P28845 4/20 0.50
SLC18A3 Q16572 1/20 0.46
MCL1 Q07820 1/20 0.45

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
SCHEMBL2887853 1.00 CNR2 (0.53) CNR2CNR1ALDH1A1TSHRHSD11B1
SCHEMBL20281692 0.87 HSD11B1 (0.45) CNR2CNR1ALDH1A1TSHRHSD11B1
SCHEMBL8012868 0.80 DPP4 (0.46) CNR2ALDH1A1HSD11B1
SCHEMBL2885557 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHSD11B1MCL1
SCHEMBL2885555 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHSD11B1MCL1
SCHEMBL2888368 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHSD11B1MCL1
SCHEMBL2885558 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHSD11B1MCL1
SCHEMBL9220425 0.76 L3MBTL1 (0.45) CNR2CNR1ALDH1A1TSHRSLC18A3
SCHEMBL2886001 0.76 PREP (0.49)
SCHEMBL13378442 0.76 PREP (0.49)

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 CNR2 1/4885CNR1 2/4885ALDH1A1 2406/4885

“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.