SCHEMBL8123282

SCHEMBL8123282

COC1CCN(CC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
LTA4H P09960 2/20 0.35
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL12891020 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAMAPTLTA4H
SCHEMBL12891053 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAMAPTLTA4H
SCHEMBL14505174 0.89 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTLTA4H
SCHEMBL14505177 0.89 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTLTA4H
SCHEMBL14504090 0.89 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTLTA4H
SCHEMBL13133936 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTLTA4H
SCHEMBL25588744 0.86 LTA4H (0.34) LTA4H
SCHEMBL10159882 0.83 KCNQ3 (0.33) ALDH1A1KDM4ELMNAMAPTKCNQ3
SCHEMBL24791053 0.82 GPR119 (0.36) LTA4HGRIN1GRIN2BBACE1
SCHEMBL26713407 0.81 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-30 US disclosed
WO-2008116185-A2 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-25 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 (6 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-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A ALDH1A1 381/4885KDM4E 3894/4885LMNA 4312/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1817/4885KDM4E 2736/4885LMNA 3720/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B ALDH1A1 4005/4885KDM4E 4822/4885LMNA 2696/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS ALDH1A1 3830/4885KDM4E 4837/4885LMNA 2491/4885
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds ZC3HAV1, ZC3HAV1L, RPL35 ALDH1A1 2877/4885KDM4E 473/4885LMNA 4148/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1158/4885KDM4E 3094/4885LMNA 3767/4885

“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.