SCHEMBL7220892

SCHEMBL7220892

CC(C)(C)OC(=O)NCCN1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.55
CACNA1H O95180 1/20 0.54
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
NPC1 O15118 1/20 0.50
EPHX1 P07099 1/20 0.50
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46

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
SCHEMBL485945 1.00 DRD2 (0.55) DRD2CACNA1HCA12CA1CA2
SCHEMBL4024516 0.98 DRD2 (0.56) DRD2CACNA1HCA12CA1CA2
SCHEMBL24172673 0.95 DRD2 (0.56) DRD2CACNA1HCA12CA1CA2
SCHEMBL31301250 0.95 DRD2 (0.56) DRD2CACNA1HCA12CA1CA2
SCHEMBL31301242 0.91 DRD2 (0.63) DRD2CACNA1HEPHX1MEN1KMT2A
SCHEMBL4119702 0.91 EPHX1 (0.49) DRD2CACNA1HCA12CA1CA2
SCHEMBL4743239 0.90 ACHE (0.58) DRD2ACHEBACE1MEN1KMT2A
SCHEMBL4118080 0.89 DRD2 (0.49) DRD2CACNA1HEPHX1ACHEBACE1
SCHEMBL31596990 0.89 DRD2 (0.58) DRD2ACHEBACE1MEN1KMT2A
SCHEMBL21142634 0.88 DRD2 (0.52) DRD2CACNA1HCA12CA1CA2

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-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP 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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents TNF, NFKBIA, CHUK DRD2 2832/4885CACNA1H 4484/4885CA12 4819/4885

“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.