SCHEMBL11999863

SCHEMBL11999863

CC(=O)N1CCC(NCCCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.64
GRIN2B Q13224 5/20 0.56
SIGMAR1 Q99720 2/20 0.56
GRIN1 Q05586 1/20 0.56
TAAR1 Q96RJ0 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MCHR1 Q99705 6/20 0.50
OPRM1 P35372 1/20 0.50
OPRL1 P41146 1/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL9471338 0.92 DRD4 (0.62) DRD4GRIN2BTAAR1
SCHEMBL2796995 0.83 DRD4 (0.60) DRD4GRIN2BSIGMAR1GRIN1TAAR1
SCHEMBL29238649 0.83 DRD4 (0.61) DRD4GRIN2B
SCHEMBL4213070 0.83 DRD4 (0.57) DRD4GRIN2BSIGMAR1GRIN1FAAH
SCHEMBL4202104 0.81 GRIN2B (0.68) DRD4GRIN2BSIGMAR1GRIN1SLC6A2
SCHEMBL27373891 0.79 SLC18A3 (0.56)
SCHEMBL29042881 0.78 USP30 (0.55) DRD4MCHR1
SCHEMBL29042870 0.78 USP30 (0.55) DRD4MCHR1
SCHEMBL5540465 0.78 GRIN2B (0.58) DRD4GRIN2BSIGMAR1GRIN1SLC6A2
SCHEMBL9249968 0.78 POLB (0.56) GRIN2BGRIN1FAAH

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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 DRD4 2539/4885GRIN2B 1241/4885SIGMAR1 670/4885

“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.