SCHEMBL645065

SCHEMBL645065

CCOC(=O)C(=O)C1CCC(=Cc2ccc(F)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 4/20 0.43
HSD11B1 P28845 2/20 0.41
HSP90AA1 P07900 2/20 0.41
CCR6 P51684 1/20 0.41
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 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
SCHEMBL645064 1.00 ALDH1A1 (0.48) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL182254 0.93 ALDH1A1 (0.46) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL182255 0.93 ALDH1A1 (0.46) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL2719545 0.93 ALDH1A1 (0.46) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL176973 0.92 NPC1 (0.48) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL13745233 0.92 NPC1 (0.48) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL176972 0.92 NPC1 (0.48) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL394235 0.91 NPC1 (0.47) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL394236 0.91 NPC1 (0.47) ALDH1A1NPC1MAPTKMT2ACYP1A2
SCHEMBL13867288 0.83 MAPT (0.45) ALDH1A1NPC1MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119621-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
EP-1937646-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
WO-2007035945-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-29 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 (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-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators CNR1, CNR2, GPR18 ALDH1A1 2068/4885NPC1 292/4885MAPT 1874/4885
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 ALDH1A1 2068/4885NPC1 292/4885MAPT 1874/4885

“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.