SCHEMBL13264347

SCHEMBL13264347

CC(=O)N1CCC(NCCSc2ccccc2C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
OPRL1 P41146 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM2 P08172 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM3 P20309 2/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
CHRM1 P11229 1/20 0.39
MAPT P10636 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL14279417 0.85 KDM1A (0.44) DRD2DRD4DRD3KDM4ECHRM2
SCHEMBL11999907 0.82 HSD17B10 (0.47) DRD2DRD4DRD3KDM4ECHRM2
SCHEMBL10285233 0.78 SOS1 (0.46) MEN1KMT2A
SCHEMBL11999864 0.75 KDM4E (0.47) DRD2DRD4DRD3OPRL1KDM4E
SCHEMBL9471338 0.72 DRD4 (0.62) DRD4KDM4ECHRM2CHRM5CHRM3
SCHEMBL11999863 0.70 DRD4 (0.64) DRD4OPRL1
SCHEMBL29238649 0.69 DRD4 (0.61) DRD4MAPTMEN1KMT2ALTA4H
SCHEMBL24481225 0.68 EPHX2 (0.50) DRD4DRD3OPRL1KDM4ECHRM2
SCHEMBL11897006 0.68 EPHX2 (0.50) OPRL1MAPT
SCHEMBL13207153 0.66 EPHX2 (0.49) DRD2OPRL1KDM4ECHRM2CHRM5

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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 DRD2 873/4885DRD4 866/4885DRD3 375/4885

“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.