SCHEMBL3224032

SCHEMBL3224032

CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2CC[CH]CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 3/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 1/20 0.39
HDAC4 P56524 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
SCHEMBL17848478 0.91 EPHX1 (0.55) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL23438850 0.78 EPHX1 (0.46) EPHX1ALDH1A1NPC1MAPTMAPK1
SCHEMBL13696766 0.78 EPHX1 (0.52) EPHX1FPR3FPR2
SCHEMBL22845511 0.77 FPR3 (0.44) EPHX1EPHX2FPR3FPR2USP2
SCHEMBL17848750 0.77 USP2 (0.47) EPHX1ALDH1A1MAPTEPHX2PTPN2
SCHEMBL13696761 0.76 EPHX1 (0.53) EPHX1FPR3FPR2HPGD
SCHEMBL4209805 0.76 USP2 (0.44) EPHX1ALDH1A1MAPTEPHX2PTPN2
SCHEMBL408307 0.76 USP2 (0.46) EPHX1ALDH1A1MAPTEPHX2PTPN2
SCHEMBL23539292 0.76 USP2 (0.46) EPHX1ALDH1A1MAPTEPHX2PTPN2
SCHEMBL23439146 0.75 KMT2A (0.50) EPHX1NPC1RAB9AEPHX2PTPN2

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 EPHX1 1489/4885ALDH1A1 518/4885NPC1 2089/4885

“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.