SCHEMBL2091937

SCHEMBL2091937

B.O=C(C=C1C2CC3CC1CN(C3)C2)Nc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
MAOB P27338 4/20 0.43
MMP1 P03956 4/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MAOA P21397 3/20 0.43
EGFR P00533 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL2092052 0.99 GRIN2B (0.48) GRIN2BKMT2AMAPTMEN1LMNA
SCHEMBL2091320 0.85 NPC1 (0.41) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2094169 0.85 GRIN2B (0.43) GRIN2BLMNAMAOBMMP1MMP2
SCHEMBL2091993 0.84 GRIN2B (0.44) GRIN2BLMNAMAOBMMP1MMP2
SCHEMBL2091046 0.81 KDM4E (0.44) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2089548 0.80 KDM4E (0.45) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2088774 0.78 LMNA (0.43) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2089627 0.78 GRIN2B (0.48) GRIN2BKMT2AMEN1LMNAALDH1A1
SCHEMBL2091939 0.77 GRIN2B (0.45) GRIN2BKMT2AMAPTMEN1LMNA
SCHEMBL2090355 0.77 LMNA (0.44) KMT2AMAPTMEN1LMNAALDH1A1

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 GRIN2B 607/4885KMT2A 228/4885MAPT 3490/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 GRIN2B 607/4885KMT2A 228/4885MAPT 3490/4885

“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.