SCHEMBL23368563

SCHEMBL23368563

COC1CCN(c2ccccc2N)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.67
MEN1 O00255 2/20 0.67
USP2 O75604 2/20 0.67
KMT2A Q03164 2/20 0.67
ADRA2C P18825 1/20 0.56
KEAP1 Q14145 1/20 0.55
MAP4K4 O95819 1/20 0.42
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA2A P29274 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
FFAR2 O15552 1/20 0.38
OGA O60502 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 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
SCHEMBL23379455 0.94 MEN1 (0.59) GAAMEN1USP2KMT2AADRA2C
SCHEMBL25527913 0.84 MEN1 (0.47) GAAMEN1USP2KMT2AADRA2C
SCHEMBL1272038 0.82 GAA (0.61) GAAMEN1USP2KMT2AADRA2C
SCHEMBL23368536 0.81 KEAP1 (0.53) GAAMEN1USP2KMT2AADRA2C
SCHEMBL12093606 0.81 ADRB1 (0.53) GAAMEN1USP2KMT2ANPC1
SCHEMBL1057318 0.81 ADRB1 (0.50) GAAMEN1USP2KMT2AKDM4E
SCHEMBL397811 0.80 KMT2A (1.00) GAAMEN1USP2KMT2AADRA2C
SCHEMBL23368590 0.80 MEN1 (0.58) GAAMEN1USP2KMT2AADRA2C
SCHEMBL23379456 0.80 MEN1 (0.58) GAAMEN1USP2KMT2AADRA2C
SCHEMBL11506767 0.80 GAA (0.72) GAAMEN1USP2KMT2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 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-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 GAA 1526/4885MEN1 241/4885USP2 4831/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 GAA 2728/4885MEN1 4009/4885USP2 2178/4885

“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.