SCHEMBL2092083

SCHEMBL2092083

B.Cc1ccc(NC(=O)C=C2C3CC4CC2CN(C4)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 1/20 0.41
NMT1 P30419 1/20 0.41
DDAH1 O94760 1/20 0.40
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.35
NAMPT P43490 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL2090389 0.99 TGM2 (0.44) TGM2NPC1RAB9AKMT2ANMT1
SCHEMBL2088774 0.87 LMNA (0.43) TGM2NPC1RAB9AKMT2AALDH1A1
SCHEMBL2091320 0.87 NPC1 (0.41) NPC1RAB9AKMT2AMMP1MMP2
SCHEMBL2094169 0.87 GRIN2B (0.43) TGM2NPC1RAB9AMMP1MMP2
SCHEMBL2090181 0.86 TRPV1 (0.39) NPC1RAB9AKMT2APOLBGRIN2B
SCHEMBL2090948 0.86 TGM2 (0.44) TGM2NPC1RAB9AKMT2AMMP1
SCHEMBL2090355 0.86 LMNA (0.44) TGM2NPC1RAB9AKMT2AALDH1A1
SCHEMBL2089528 0.86 NPC1 (0.42) NPC1RAB9AKMT2AMMP1MMP2
SCHEMBL2091993 0.85 GRIN2B (0.44) TGM2NPC1RAB9AMMP1MMP2
SCHEMBL2092137 0.85 TRPV1 (0.40) NPC1RAB9AKMT2APOLBGRIN2B

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 TGM2 2493/4885NPC1 3584/4885RAB9A 3262/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 TGM2 2493/4885NPC1 3584/4885RAB9A 3262/4885

“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.