SCHEMBL29979173

SCHEMBL29979173

Cc1ccc(N2CCC(C)CC2)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
USP2 O75604 1/20 0.62
KDM4E B2RXH2 4/20 0.61
POLB P06746 2/20 0.61
HSD17B10 Q99714 2/20 0.61
NR4A1 P22736 1/20 0.61
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
HTT P42858 2/20 0.57
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
S100B P04271 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTPS1 P17812 1/20 0.42

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
SCHEMBL23043687 1.00 GAA (0.62) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL29979159 0.85 KDM4E (0.49) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL30108222 0.84 ALDH1A1 (0.73) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL29748984 0.82 GAA (0.43) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL30667261 0.82 S100B (0.61) GAAMEN1KMT2AKDM4EPOLB
SCHEMBL8042381 0.81 KDM4E (0.60) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL29979140 0.81 KDM4E (0.64) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL23043624 0.81 POLB (0.66) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL23043573 0.81 KDM4E (0.64) GAAMEN1KMT2AUSP2KDM4E
SCHEMBL29978698 0.81 POLB (0.66) GAAMEN1KMT2AUSP2KDM4E

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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 GAA 154/4885MEN1 336/4885KMT2A 3579/4885

“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.