SCHEMBL4935447

SCHEMBL4935447

CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1C1CCC2CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.52
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.43
FAAH O00519 1/20 0.43
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.40
ALOX12 P18054 1/20 0.40
MLYCD O95822 1/20 0.40
APP P05067 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4935540 0.88 NPC1 (0.51) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4933764 0.85 KMT2A (0.52) MAPTALDH1A1FAAHKDM4EHPGD
SCHEMBL4936297 0.85 SLC5A1 (0.47) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4935386 0.84 ADORA1 (0.49) ADORA1MAPTALDH1A1KDM4EHPGD
SCHEMBL4933471 0.83 ATM (0.43) ATM
SCHEMBL1431633 0.81 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4931542 0.81 ALDH1A1 (0.54) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4934781 0.79 CNR2 (0.54) MAPTATM
SCHEMBL1432291 0.79 SLC5A1 (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1432107 0.79 KMT2A (0.50) MAPTALDH1A1FAAHKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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 (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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 ADORA1 478/4885MAPT 665/4885ALDH1A1 4441/4885

“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.