SCHEMBL4118080

SCHEMBL4118080

CC(C)(C)OC(=O)NCCNCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.49
CACNA1H O95180 1/20 0.48
EPHX1 P07099 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL4119702 0.98 EPHX1 (0.49) DRD2CACNA1HEPHX1TDP1CHRM2
SCHEMBL13075277 0.92 DRD2 (0.56) DRD2CACNA1HEPHX1TDP1SIGMAR1
SCHEMBL4024516 0.91 DRD2 (0.56) DRD2CACNA1HEPHX1TDP1CHRM2
SCHEMBL485945 0.89 DRD2 (0.55) DRD2CACNA1HEPHX1TDP1CHRM2
SCHEMBL7220892 0.89 DRD2 (0.55) DRD2CACNA1HEPHX1TDP1CHRM2
SCHEMBL24172673 0.87 DRD2 (0.56) DRD2CACNA1HEPHX1TDP1SIGMAR1
SCHEMBL31301250 0.87 DRD2 (0.56) DRD2CACNA1HEPHX1TDP1SIGMAR1
SCHEMBL16941149 0.87 MEN1 (0.47) DRD2CACNA1HEPHX1TDP1SIGMAR1
SCHEMBL9093109 0.87 CD274 (0.53) DRD2CACNA1HTDP1
SCHEMBL31301242 0.84 DRD2 (0.63) DRD2CACNA1HEPHX1TDP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 US disclosed
US-5561139-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530120-A ANALOGS OF ASCOMYCIN AND FK-506 AS IMMUNOSUPPRESSANTS AND-MODULATORS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-06-25 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS DRD2 1063/4885CACNA1H 2336/4885EPHX1 3766/4885

“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.