SCHEMBL3600224

SCHEMBL3600224

Cc1cccc2[nH]c(C(=O)N[C@@H]3CCCNC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
MAPK1 P28482 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA4 P43681 1/20 0.46
GHSR Q92847 3/20 0.45
CYP1A2 P05177 1/20 0.45
CHEK1 O14757 5/20 0.45
CDK2AP1 O14519 2/20 0.45
SMYD3 Q9H7B4 2/20 0.44
RAB9A P51151 1/20 0.44
KDM1A O60341 1/20 0.43
PBK Q96KB5 1/20 0.43
PLA2G7 Q13093 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL3600227 1.00 PARP1 (0.49) PARP1MAPK1OPRK1CHRNA1CHRNB2
SCHEMBL3605671 0.93 SMYD3 (0.50) PARP1SMYD3RAB9AKDM1A
SCHEMBL3605675 0.93 SMYD3 (0.50) PARP1SMYD3RAB9AKDM1A
SCHEMBL3611578 0.93 SMYD3 (0.50) PARP1SMYD3RAB9AKDM1A
SCHEMBL17209756 0.87 RAB9A (0.54) SMYD3RAB9APLA2G7
SCHEMBL17209751 0.87 RAB9A (0.54) SMYD3RAB9APLA2G7
SCHEMBL3609263 0.86 RAB9A (0.52) PARP1MAPK1OPRK1CHRNA1CHRNB2
SCHEMBL3609261 0.86 RAB9A (0.52) PARP1MAPK1OPRK1CHRNA1CHRNB2
SCHEMBL3614229 0.86 PARP1 (0.49) PARP1MAPK1OPRK1CHRNA1CHRNB2
SCHEMBL3597204 0.86 CDK2 (0.50) PARP1CHRNA1CHRNB2CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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 (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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT PARP1 156/4885MAPK1 4292/4885OPRK1 609/4885

“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.