SCHEMBL3035722

SCHEMBL3035722

COC(=O)C[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
FKBP1A P62942 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1779547 1.00 L3MBTL1 (0.38) L3MBTL1KMT2AATMFKBP1APOLB
SCHEMBL5643023 0.95 POLB (0.42) L3MBTL1POLBRAB9AHRH3
SCHEMBL28153696 0.95 POLB (0.42) L3MBTL1POLBRAB9AHRH3
SCHEMBL2463944 0.88 BRD4 (0.37) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL11996941 0.88 BRD4 (0.37) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL12606506 0.87 CHRM2 (0.41) L3MBTL1ATMFKBP1APOLB
SCHEMBL3032831 0.84 L3MBTL1 (0.39) L3MBTL1KMT2AATMFKBP1APOLB
SCHEMBL25162000 0.83 ATM (0.43) L3MBTL1KMT2AATMFKBP1APOLB
SCHEMBL14140345 0.83 ALDH1A1 (0.40) KMT2AALDH1A1NPC1HPGDRAB9A
SCHEMBL30129954 0.83 HSD17B10 (0.37) L3MBTL1FKBP1APOLBNPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107540599-B Aminoindane compounds and their use to treat pain 阿萨纳生物科技有限责任公司 2021-06-04 CN disclosed
CN-107540599-A Aminoidan compound and its purposes for treating pain 阿萨纳生物科技有限责任公司 2018-01-05 CN disclosed
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ALVARO GIUSEPPE 2010-08-19 US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
WO-2010060470-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 WO disclosed
WO-2010060471-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 WO disclosed
WO-2010060472-A1 IMIDAZOPYRIDAZINE DERIVATIVES ACTING AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 WO disclosed
EP-2176258-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
EP-2176265-A1 IMIDAZO [1, 2-C]PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
WO-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 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 (3 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-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 L3MBTL1 4844/4885KMT2A 3634/4885ATM 4432/4885
US-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 L3MBTL1 4441/4885KMT2A 3341/4885ATM 4547/4885
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R L3MBTL1 4464/4885KMT2A 640/4885ATM 4777/4885

“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.