SCHEMBL394236

SCHEMBL394236

CCOC(=O)C(=O)C1CCCCCC(=Cc2ccc(F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 3/20 0.42
HSD11B1 P28845 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL394235 1.00 NPC1 (0.47) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL13745233 0.99 NPC1 (0.48) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL176973 0.99 NPC1 (0.48) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL176972 0.99 NPC1 (0.48) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL182255 0.96 ALDH1A1 (0.46) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL2719545 0.96 ALDH1A1 (0.46) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL182254 0.96 ALDH1A1 (0.46) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL645065 0.91 ALDH1A1 (0.48) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL645064 0.91 ALDH1A1 (0.48) NPC1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL13411537 0.79 MAPT (0.47) ALDH1A1KMT2AMAPTCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101592-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2012-01-24 US disclosed
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 US disclosed
US-7851498-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-12-14 US disclosed
US-7825151-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20100234331-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-16 US disclosed
EP-1931335-B1 HEXAHYDRO CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-02-24 EP disclosed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US 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-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, FAAH NPC1 873/4885ALDH1A1 2936/4885KMT2A 3171/4885
US-20070129417-A1 Hexahydro-cyclooctyl pyrazole cannabinoid modulators CNR1, CNR2, FAAH NPC1 873/4885ALDH1A1 2936/4885KMT2A 3171/4885
US-20100234331-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, FAAH NPC1 873/4885ALDH1A1 2936/4885KMT2A 3171/4885
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators CNR1, CNR2, FAAH NPC1 873/4885ALDH1A1 2936/4885KMT2A 3171/4885

“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.