SCHEMBL2091939

SCHEMBL2091939

BC(C(=O)Nc1cccc(Cl)c1)=C1C2CC3CC1CN(C3)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
EPHX2 P34913 2/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 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
SCHEMBL2091323 0.85 IDO1 (0.40) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL2092052 0.78 GRIN2B (0.48) GRIN2BSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2091937 0.77 GRIN2B (0.47) GRIN2BSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2091020 0.75 EPHX2 (0.42) NPC1RAB9AEPHX2
SCHEMBL10718675 0.66 MEN1 (0.65) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL10884791 0.66 GPR35 (0.74) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11066912 0.65 MEN1 (0.74) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL31598584 0.65 MEN1 (0.62) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL7173339 0.65 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2682054 0.64 KMT2A (1.00) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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 607/4885SMN1; SMN2 4227/4885KMT2A 228/4885
US-20120190706-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF NAAA, AADAC, CD38 GRIN2B 607/4885SMN1; SMN2 4227/4885KMT2A 228/4885

“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.