SCHEMBL18436557

SCHEMBL18436557

Cc1ccc(N2CCOC(C)(C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.41
MAPT P10636 4/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.40
PRKDC P78527 2/20 0.39
PIK3CA P42336 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
SCHEMBL6624674 0.84 MAPT (0.46) NPC1RAB9AGAAL3MBTL1MAPT
SCHEMBL31276657 0.84 AKR1C3 (0.41) AKR1C3MAPTUSP2TP53MAPK1
SCHEMBL18436319 0.84 LMNA (0.52) NPC1RAB9AMAPTUSP2MAPK1
SCHEMBL24352269 0.81 ALDH1A1 (0.46) NPC1RAB9AGAAL3MBTL1MAPT
SCHEMBL19012685 0.81 MAPT (0.45) NPC1RAB9AL3MBTL1MAPTUSP2
SCHEMBL20448572 0.81 PRKDC (0.38) MAPTUSP2TP53MAPK1KDM4E
SCHEMBL21396334 0.80 BACE1 (0.37) NPC1RAB9AGAAL3MBTL1MAPT
SCHEMBL27625331 0.79 SIRT6 (0.54) ADRB1GAAAKR1C3MAPTTP53
SCHEMBL21388686 0.79 PIK3CA (0.38) GAAL3MBTL1MAPTUSP2TP53
Hydrochloric Acid SCHEMBL21378575 0.78 PIK3CA (0.37) GAAL3MBTL1MAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119395-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP 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-20220119395-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 ADRB1 853/4885NPC1 11/4885RAB9A 277/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH ADRB1 3619/4885NPC1 1360/4885RAB9A 241/4885

“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.