SCHEMBL3592831

SCHEMBL3592831

O=C1N(CCN2CCOCC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.43
CETP P11597 3/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.39
CCR4 P51679 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 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
SCHEMBL3592827 1.00 P2RX7 (0.43) P2RX7CETPDRD2DRD3HDAC1
SCHEMBL3588178 0.95 P2RX7 (0.46) P2RX7CETPDRD2DRD3HDAC1
SCHEMBL3588174 0.95 P2RX7 (0.46) P2RX7CETPDRD2DRD3HDAC1
SCHEMBL3593742 0.95 P2RX7 (0.40) P2RX7CETPDRD2DRD3HDAC1
SCHEMBL3588823 0.91 P2RX7 (0.42) P2RX7CETPHDAC1HDAC8HDAC6
SCHEMBL3589125 0.89 DRD2 (0.44) CETPDRD2DRD3KCNH2
SCHEMBL3589129 0.89 DRD2 (0.44) CETPDRD2DRD3KCNH2
SCHEMBL3587643 0.88 CETP (0.40) CETPHDAC1HDAC8HDAC6PIK3C3
SCHEMBL3587649 0.88 CETP (0.40) CETPHDAC1HDAC8HDAC6PIK3C3
SCHEMBL3592797 0.87 CETP (0.41) CETPDRD2DRD3KCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
CN-101600689-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (VG) 2009-12-09 CN 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH P2RX7 162/4885CETP 779/4885DRD2 889/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH P2RX7 162/4885CETP 779/4885DRD2 889/4885

“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.