SCHEMBL22245280

SCHEMBL22245280

OC1NCc2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
CYP19A1 P11511 2/20 0.33
PDK2 Q15119 1/20 0.33
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
TBXAS1 P24557 2/20 0.31
SLC6A3 Q01959 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7633797 0.77 DRD2 (0.43) DRD2DRD1CYP19A1PDK2HTR1A
SCHEMBL5187232 0.74 DRD2 (0.39) DRD2DRD1CYP19A1PDK2HTR1A
SCHEMBL13245792 0.74 DRD2 (0.42) DRD2DRD1TBXAS1
SCHEMBL27932286 0.73 DRD2 (0.41) DRD2DRD1CYP19A1PDK2HTR1A
SCHEMBL17781829 0.73 DRD2 (0.41) DRD2DRD1CYP19A1SLC6A4TBXAS1
SCHEMBL14395237 0.67 CHRNB2 (0.44) DRD2DRD1CYP2D6
SCHEMBL359803 0.67 CHRNB2 (0.44) DRD2DRD1CYP2D6
SCHEMBL29568322 0.67 CHRNB2 (0.44) DRD2DRD1CYP2D6
SCHEMBL17760134 0.67 HTR2C (0.42) DRD2DRD1HTR1ASLC6A2SLC6A4
SCHEMBL30309386 0.67 DRD2 (0.36) DRD2DRD1CYP19A1PDK2HTR1A

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-20200231592-A1 SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2020-07-23 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-20200231592-A1 SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM5 DRD2 78/4885DRD1 145/4885CYP19A1 1874/4885

“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.