SCHEMBL651751

SCHEMBL651751

CC[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H](C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
KDM1A O60341 2/20 0.41
NAMPT P43490 1/20 0.40
USP30 Q70CQ3 2/20 0.39
ACKR3 P25106 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39

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
SCHEMBL651769 1.00 ATM (0.46) ATMGPR119TSHRALOX15KDM4E
SCHEMBL22798953 1.00 ATM (0.46) ATMGPR119TSHRALOX15KDM4E
SCHEMBL28331122 0.84 GPR119 (0.47) ATMGPR119KDM4EPKMKDM1A
SCHEMBL28331123 0.84 GPR119 (0.47) ATMGPR119KDM4EPKMKDM1A
SCHEMBL22147785 0.77 GPR119 (0.48) ATMGPR119TSHRALOX15KDM4E
SCHEMBL25465736 0.75 KDM4E (0.47) ATMGPR119TSHRALOX15KDM4E
SCHEMBL12683487 0.75 GPR119 (0.53) GPR119KDM4EPKMUSP30ACKR3
SCHEMBL12683573 0.75 GPR119 (0.53) GPR119KDM4EPKMUSP30ACKR3
SCHEMBL16459716 0.75 GPR119 (0.53) GPR119KDM4EPKMUSP30ACKR3
SCHEMBL28520003 0.75 GPR119 (0.53) GPR119KDM4EPKMUSP30ACKR3

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-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US 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 (5 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 ATM 3582/4885GPR119 283/4885TSHR 2636/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 ATM 3582/4885GPR119 283/4885TSHR 2636/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 ATM 3692/4885GPR119 312/4885TSHR 2729/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 ATM 3582/4885GPR119 283/4885TSHR 2636/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 ATM 3692/4885GPR119 312/4885TSHR 2729/4885

“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.