SCHEMBL4935386

SCHEMBL4935386

CCOC(=O)c1nn(-c2ccc(C(C)(C)C)cc2)c2c1C1CCC2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
ALDH1A1 P00352 7/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL4931542 0.89 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1431633 0.87 ALDH1A1 (0.49) ALDH1A1CNR1CNR2MEN1KMT2A
SCHEMBL1432107 0.87 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1432291 0.87 SLC5A1 (0.45) ALDH1A1CNR1CNR2CYP2C9CYP2C19
SCHEMBL1431635 0.87 ALOX12 (0.54) ADORA1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL4933169 0.86 SMN1; SMN2 (0.52) ADORA1ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL4930722 0.84 CNR2 (0.45) ALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL4935447 0.84 ADORA1 (0.52) ADORA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4934264 0.83 MAPT (0.59) ADORA1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1432032 0.82 NOTUM (0.45) ALDH1A1CNR1CNR2MAPT

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 478/4885ALDH1A1 4441/4885CNR1 2/4885

“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.