SCHEMBL21333308

SCHEMBL21333308

NC(=O)c1c(N)sc2c1CCC(c1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.59
ALDH1A1 P00352 14/20 0.59
HPGD P15428 10/20 0.59
KDM4E B2RXH2 8/20 0.59
HSD17B10 Q99714 5/20 0.59
ALOX15 P16050 4/20 0.59
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ANO1 Q5XXA6 1/20 0.55
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 5/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL4227925 0.85 MAPT (0.48) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21333625 0.82 MAPT (0.66) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5458275 0.78 PDE4B (0.63) MAPTALDH1A1HPGDKDM4EPDE4B
SCHEMBL21347821 0.77 MAPT (0.49) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21333744 0.76 RAB9A (0.71) MAPTALDH1A1KDM4EPDE4BPDE4D
SCHEMBL21346848 0.76 PDE4B (0.68) MAPTALDH1A1HPGDKDM4EPDE4B
SCHEMBL20254478 0.75 MAPT (0.49) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1718839 0.75 MAPT (1.00) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21260713 0.74 PDE4B (0.52) MAPTALDH1A1HPGDHSD17B10PDE4B
SCHEMBL21346852 0.74 PDE4B (0.56) MAPTALDH1A1HPGDKDM4EPDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762383-B1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF US HEALTH (US) 2023-12-06 EP disclosed
US-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 US disclosed
US-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 US disclosed
EP-3762383-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2021-01-13 EP disclosed
WO-2019173437-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-12 WO 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-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF CHRM1, MTNR1A, CHRNA3 MAPT 658/4885ALDH1A1 2614/4885HPGD 2034/4885

“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.