SCHEMBL2090854

SCHEMBL2090854

O=C(C=C1C2CC3CC1CN(C3)C2)Nc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2091082 0.99 KDM4E (0.43) KDM4EGAACYP2C19NPC1RAB9A
SCHEMBL2094169 0.80 GRIN2B (0.43) NPC1RAB9ACYP1A2NPSR1SMN1; SMN2
SCHEMBL2091084 0.77 NPC1 (0.45) KDM4EGAACYP2C19NPC1RAB9A
SCHEMBL2092052 0.75 GRIN2B (0.48) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL2090389 0.73 TGM2 (0.44) NPC1RAB9AMAPTALDH1A1EPHX1
SCHEMBL2089528 0.73 NPC1 (0.42) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL2092083 0.72 TGM2 (0.43) NPC1RAB9AMAPTALDH1A1EPHX1
SCHEMBL2091320 0.72 NPC1 (0.41) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL3966081 0.71 KDM4E (0.47) KDM4EGAACYP2C19HSD17B10ALDH1A1
SCHEMBL2090145 0.71 MAPT (0.49) KDM4EGAACYP2C19CYP1A2MAPT

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-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 claimed
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 KDM4E 102/4885GAA 875/4885CYP2C19 506/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 KDM4E 102/4885GAA 875/4885CYP2C19 506/4885

“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.