SCHEMBL31106977

SCHEMBL31106977

Clc1nc(N2C[C@H]3COC[C@H]3C2)c2cnn(CC3CC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CA P42336 7/20 0.33
MTOR P42345 7/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH1A3 P47895 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL24955764 1.00 CNR2 (0.35) CNR2ADORA2AADORA1LMNANPSR1
SCHEMBL24955619 0.86 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL31106974 0.86 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL24955665 0.83 ADORA2A (0.35) CNR2ADORA2AADORA1PIK3CAMTOR
SCHEMBL24954191 0.81 PIK3CA (0.33) CNR2ADORA2AADORA1PIK3CAMTOR
SCHEMBL31106985 0.81 CNR2 (0.38) CNR2PIK3CAMTOR
SCHEMBL24955763 0.81 CNR2 (0.38) CNR2PIK3CAMTOR
SCHEMBL31106958 0.79 PDE2A (0.46) PIK3CAMTORPKM
SCHEMBL24955621 0.79 PDE2A (0.46) PIK3CAMTORPKM
SCHEMBL24955626 0.76 PIK3CA (0.42) CNR2PIK3CAMTOR

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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2024-10-17 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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE SI, SLC10A2, NOS3 CNR2 1522/4885ADORA2A 4021/4885ADORA1 2488/4885

“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.