SCHEMBL13091978

SCHEMBL13091978

CCCCOC(=O)N1CC2(CCN(C)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
BCHE P06276 1/20 0.45
AKT1 P31749 1/20 0.44
P2RY1 P47900 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
SLC18A3 Q16572 2/20 0.42
NPY5R Q15761 1/20 0.41
OPRM1 P35372 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
OPRL1 P41146 1/20 0.39

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
SCHEMBL1670307 0.84 NPC1 (0.54) NOTUMHDAC1HDAC6AKT1P2RY1
SCHEMBL29384374 0.80 KDM1A (0.56) NOTUMHDAC1HDAC6BCHEAKT1
SCHEMBL13085702 0.80 KDM1A (0.56) NOTUMHDAC1HDAC6BCHEAKT1
SCHEMBL9910961 0.79 NOTUM (0.80) NOTUMHDAC1HDAC6AKT1P2RY1
SCHEMBL14580786 0.78 NOTUM (0.52) NOTUMBCHESIGMAR1SLC18A3
SCHEMBL13000600 0.78 NOTUM (0.52) NOTUMKCNH2
SCHEMBL31378010 0.77 BCHE (0.48) NOTUMBCHEOPRD1OPRK1
SCHEMBL8127807 0.77 BCHE (0.48) NOTUMBCHEOPRD1OPRK1OPRL1
SCHEMBL8003261 0.76 BCHE (0.47) NOTUMBCHEOPRD1OPRK1OPRL1
SCHEMBL13000328 0.76 NOTUM (0.50) NOTUMBCHESIGMAR1SLC18A3OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 NOTUM 537/4885HDAC1 607/4885HDAC6 503/4885

“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.