SCHEMBL7098331

SCHEMBL7098331

CN(CC/C=C/c1cncc(N(C=O)Cc2ccccc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
GLS O94925 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
RIPK1 Q13546 1/20 0.33
PDK2 Q15119 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
GBA1 P04062 1/20 0.33
CYP19A1 P11511 1/20 0.33
AKT1 P31749 2/20 0.32

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
SCHEMBL620526 0.76 CHRNB2 (0.48) CYP19A1AKT1
SCHEMBL7099273 0.75 TBXAS1 (0.49)
SCHEMBL7099269 0.75 TBXAS1 (0.49)
SCHEMBL7100925 0.75 CHRNB2 (0.32) HTR2CSLC6A4
SCHEMBL6658558 0.75 CHRNB2 (0.32) HTR2CSLC6A4
SCHEMBL6664107 0.75 AKT1 (0.33) PDK2AKT1
SCHEMBL6663163 0.74 RAF1 (0.46) PDK2GBA1
SCHEMBL7071001 0.72 HTR2A (0.47) SLC6A4AKT1
SCHEMBL7100885 0.71 CHRNB2 (0.40) PDK2AKT1
SCHEMBL7101213 0.69 HDAC3 (0.35) HDAC3HDAC1HDAC2NCOR2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO 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 (1 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-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E HTR2C 6/4885SLC6A4 215/4885HDAC3 2004/4885

“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.