SCHEMBL13378487

SCHEMBL13378487

O=C1CCN(C(=O)OCc2ccccc2)[C@@H]2CCCC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ELANE P08246 2/20 0.47
CYP2C19 P33261 1/20 0.47
F2 P00734 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL13378442 1.00 PREP (0.49) PREPSMN1; SMN2NPC1RAB9AELANE
SCHEMBL2886001 1.00 PREP (0.49) PREPSMN1; SMN2NPC1RAB9AELANE
SCHEMBL24438696 0.85 PREP (0.55) PREPSMN1; SMN2NPC1RAB9A
SCHEMBL3713827 0.80 CYP2C19 (0.48) PREPSMN1; SMN2NPC1RAB9AELANE
SCHEMBL3823845 0.79 NPC1 (0.50) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL13073095 0.79 HTR2C (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PARP1
SCHEMBL1643399 0.79 HTR2C (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PARP1
SCHEMBL29906748 0.78 PARP1 (0.49) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL23478113 0.78 PSEN1 (0.62) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL25385249 0.78 SMN1; SMN2 (0.49) PREPSMN1; SMN2NPC1RAB9AELANE

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
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
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 PREP 3486/4885SMN1; SMN2 4345/4885NPC1 857/4885

“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.