SCHEMBL4935540

SCHEMBL4935540

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 2/20 0.50
APP P05067 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL1431633 0.93 ALDH1A1 (0.49) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL4936297 0.88 SLC5A1 (0.47) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL4933764 0.88 KMT2A (0.52) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL4935447 0.88 ADORA1 (0.52) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL1432222 0.84 CNR2 (0.57) LMNANPSR1KDM4ETP53MAPT
SCHEMBL4931542 0.84 ALDH1A1 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4925578 0.82 CNR1 (0.45) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL1432107 0.82 KMT2A (0.50) NPC1LMNARAB9AALDH1A1MEN1
SCHEMBL1432291 0.82 SLC5A1 (0.45) LMNARAB9AALDH1A1MEN1KMT2A
SCHEMBL1431635 0.81 ALOX12 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A

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 NPC1 590/4885LMNA 2752/4885RAB9A 931/4885

“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.