SCHEMBL2091098

SCHEMBL2091098

BC(C(=O)Nc1ccccn1)=C1C2CC3CC1CN(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL2090323 0.77 RAB9A (0.43) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL2091095 0.76 RAB9A (0.43) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL30565139 0.69 RAB9A (1.00) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL2092388 0.68 KMT2A (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7165468 0.65 RAB9A (0.81) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL4395297 0.64 RAB9A (0.78) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL13589462 0.64 NPC1 (0.78) RAB9ANPC1PKMSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7128897 0.64 RAB9A (0.78) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL6385934 0.63 RAB9A (0.70) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL30578531 0.63 RAB9A (0.70) RAB9ANPC1PKMSMN1; SMN2MEN1

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 RAB9A 3262/4885NPC1 3584/4885PKM 2536/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 RAB9A 3262/4885NPC1 3584/4885PKM 2536/4885

“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.