SCHEMBL29303151

SCHEMBL29303151

c1ccc2c(c1)cnn2C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
SCD O00767 1/20 0.48
PDE9A O76083 3/20 0.47
KDM5A P29375 1/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE1C Q14123 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
RECQL P46063 1/20 0.40
PDE10A Q9Y233 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TFPI2 P48307 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
SCHEMBL31495775 0.96 DDB1 (0.50) DDB1CRBNSCDPDE9AKDM5A
SCHEMBL29152986 0.95 DDB1 (0.49) DDB1CRBNSCDPDE9AKDM5A
SCHEMBL17404486 0.92 DDB1 (0.53) DDB1CRBNSCDPDE9AKDM5A
SCHEMBL2850238 0.86 DDB1 (0.51) DDB1CRBNSCDPDE9AKDM5A
SCHEMBL30588431 0.86 DDB1 (0.51) DDB1CRBNSCDPDE9AKDM5A
SCHEMBL19691209 0.84 DDB1 (0.47) DDB1CRBNSCDPDE9AKDM5A
Hydrochloric Acid SCHEMBL18399184 0.84 DDB1 (0.50) DDB1CRBNSCDPDE9AKDM5A
SCHEMBL31195616 0.84 PDE10A (0.49) DDB1CRBNSCDPDE9APDE1C
SCHEMBL15440751 0.84 PDE10A (0.49) DDB1CRBNSCDPDE9APDE1C
SCHEMBL30364136 0.84 DDB1 (0.47) DDB1CRBNSCDPDE9AKDM5A

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 DDB1 2343/4885CRBN 3006/4885SCD 3619/4885

“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.