SCHEMBL2265663

SCHEMBL2265663

CC(C)CN1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 1/20 0.41
NR1H2 P55055 2/20 0.40
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
DTYMK P23919 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL25045380 0.88 NR1H2 (0.41) P2RX7ALDH1A1HTTMAPTMAPK1
SCHEMBL23536559 0.87 PIK3CD (0.47) P2RX7ALDH1A1HTTMAPTMAPK1
SCHEMBL1330355 0.84 PRMT5 (0.41) P2RX7ALDH1A1MAPTMAPK1NR1H2
SCHEMBL12125488 0.84 NR1H2 (0.43) ALDH1A1MAPTMAPK1NR1H2USP2
SCHEMBL3635546 0.84 P2RX7 (0.45) P2RX7ALDH1A1MAPTMAPK1NR1H2
SCHEMBL31570956 0.83 TSHR (0.44) ALDH1A1MAPTMAPK1NR1H2USP2
SCHEMBL26815158 0.82 P2RX7 (0.50) P2RX7ALDH1A1HTTMAPTPIK3CD
SCHEMBL28705739 0.81 MAPK1 (0.38) P2RX7ALDH1A1HTTMAPTMAPK1
SCHEMBL1583253 0.81 P2RX7 (0.46) P2RX7ALDH1A1MAPTMAPK1NR1H2
SCHEMBL21063418 0.81 NR1H2 (0.41) ALDH1A1MAPTMAPK1PIK3CDNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703947-B2 Compounds for treatment of Alzheimer's disease PURDUE RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2011-08-11 US disclosed
EP-2349308-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Purdue Research Foundation (US) 2011-08-03 EP disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
WO-2010042796-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2010-04-15 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 (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-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT P2RX7 3205/4885ALDH1A1 1222/4885HTT 40/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 P2RX7 254/4885ALDH1A1 831/4885HTT 930/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 P2RX7 2351/4885ALDH1A1 1205/4885HTT 1595/4885

“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.