SCHEMBL21165880

SCHEMBL21165880

Cc1ccn(-c2nc(NC3CC=CCC3)cc(N3CCCOCCC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.39
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 5/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
APAF1 O14727 1/20 0.35
KMT2A Q03164 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL19686384 0.94 ADORA2A (0.41) PDE10AADORA2AADORA1KDM4ELMNA
SCHEMBL19686377 0.84 PTGS2 (0.33) PTGS2
SCHEMBL21165843 0.83 IDH1 (0.42) PDE10AADORA2AADORA1CHRM3PDE4A
SCHEMBL21578586 0.82 HRH4 (0.44) PDE10AADORA2AADORA1CHRM3PDE4A
SCHEMBL19686421 0.82 IDH1 (0.41) PDE10AADORA2AADORA1CHRM3PDE4A
SCHEMBL19687113 0.81 MAPT (0.35) PDE10AKDM4ELMNAMAPTHRH4
SCHEMBL21165858 0.81 KDM4E (0.37) PDE10AADORA2AADORA1KDM4ELMNA
SCHEMBL19686381 0.80 ADORA2A (0.43) PDE10AADORA2AADORA1CHRM3PDE4A
SCHEMBL21143635 0.79 PTGS2 (0.37) KDM4EMAPTALDH1A1GAAPTGS2
SCHEMBL19686702 0.79 PIK3CA (0.51) PDE10AADORA2AADORA1CHRM3PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 PDE10A 484/4885ADORA2A 1711/4885ADORA1 1011/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 PDE10A 484/4885ADORA2A 1711/4885ADORA1 1011/4885

“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.