SCHEMBL2091084

SCHEMBL2091084

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 11/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP7 O15540 1/20 0.40

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
SCHEMBL2090353 0.84 KMT2A (0.33) KMT2AMAPTNPSR1
SCHEMBL2090854 0.77 KDM4E (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2091082 0.76 KDM4E (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2091098 0.76 RAB9A (0.49) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2091939 0.75 GRIN2B (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2088778 0.74 KDM4E (0.42) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2091020 0.71 EPHX2 (0.42) NPC1RAB9A
SCHEMBL2090183 0.71 EPHX2 (0.39) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL11291466 0.71 NPC1 (0.79) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2090145 0.70 MAPT (0.49) MEN1KMT2AKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 3584/4885RAB9A 3262/4885MEN1 911/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 NPC1 3584/4885RAB9A 3262/4885MEN1 911/4885

“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.