SCHEMBL2090145

SCHEMBL2090145

O=C(CC1C2CC3CC1CN(C3)C2)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 5/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.44
GSK3B P49841 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3960705 0.72 KDM4E (0.48) MAPTALDH1A1KMT2AMEN1CASP1
SCHEMBL2090854 0.71 KDM4E (0.44) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL2091082 0.70 KDM4E (0.43) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL2091084 0.70 NPC1 (0.45) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL14583955 0.70 P2RX7 (0.61) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL4141045 0.70 P2RX7 (0.48) MAPTALDH1A1KDM4EHTTPOLB
SCHEMBL6290020 0.69 MAPT (0.70) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL6293462 0.69 MAPT (0.70) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL4153928 0.69 PARP1 (0.51) ALDH1A1KMT2AMEN1CASP1CYP1A2
SCHEMBL27841831 0.68 POLB (0.68) MAPTALDH1A1KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069346-B1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-12-21 EP claimed
US-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US claimed
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF SCANIO MARC J C (US) 2012-07-26 US disclosed
US-8163914-B2 Modulate neuronal nicotinic receptor activity; attention deficit disorder, Parkinson's, Tourette's, schizophrenia, cognitive deficits, dementia; acute pain, post-surgical pain, chronic pain, inflammatory pain; 2-[1-azatricyclo[3.3.1.13,7]dec-4-ylidene]-N-(4-methylphenyl)acetamide ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-2069346-B1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-12-21 EP disclosed
US-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 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 (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-20080255179-A1 Acetamide and Carboxamide Derivatives of Azaadamantane and Methods of Use Thereof NAAA, AADAC, CD38 MAPT 3490/4885ALDH1A1 293/4885KMT2A 228/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 MAPT 3490/4885ALDH1A1 293/4885KMT2A 228/4885

“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.