SCHEMBL5659414

SCHEMBL5659414

CN1CCC(N2CCN(CCO)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
ACHE P22303 2/20 0.37
SLC18A3 Q16572 1/20 0.37
RAD52 P43351 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
NCF1 P14598 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34

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
SCHEMBL23269644 0.98 L3MBTL1 (0.40) ALDH1A1KDM4EL3MBTL1L3MBTL3KMT2A
SCHEMBL16803624 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1L3MBTL3KMT2A
SCHEMBL5660989 0.89 GNAI3 (0.40) ALDH1A1L3MBTL1L3MBTL3ACHESIGMAR1
SCHEMBL26042815 0.85 L3MBTL1 (0.40) ALDH1A1KDM4EL3MBTL1L3MBTL3ACHE
SCHEMBL24454166 0.85 KMT2A (0.46) ALDH1A1KDM4EKMT2APKMACHE
SCHEMBL22166564 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2APKMSLC18A3
SCHEMBL22456348 0.82 LMNA (0.40) ALDH1A1KDM4EKMT2APKMSLC18A3
SCHEMBL24351585 0.82 HRH3 (0.43) L3MBTL1L3MBTL3SIGMAR1GNAI3GNAO1
SCHEMBL22043172 0.82 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1L3MBTL3KMT2ASIGMAR1
SCHEMBL24351556 0.82 L3MBTL1 (0.38) ALDH1A1KDM4EL3MBTL1L3MBTL3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268052-A9 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2023-08-17 WO disclosed
WO-2022268052-A1 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2022-12-29 WO disclosed
WO-2021076886-A1 3-PHENYLSULPHONYL-QUINOLINE DERIVATIVES AS AGENTS FOR TREATING PATHOGENIC BLOOD VESSELS DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 WO disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ALDH1A1 3334/4885KDM4E 2435/4885L3MBTL1 3696/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885KDM4E 2238/4885L3MBTL1 4594/4885

“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.