SCHEMBL13453030

SCHEMBL13453030

CCC(=O)N1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
PHGDH O43175 1/20 0.53
MGLL Q99685 1/20 0.53
POLB P06746 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
HRH3 Q9Y5N1 5/20 0.49
LMNA P02545 1/20 0.48
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL19773151 1.00 EPHX2 (0.54) EPHX2ALDH1A1KDM4EPHGDHMGLL
SCHEMBL14035661 0.98 ALDH1A1 (0.55) EPHX2ALDH1A1KDM4EPHGDHMGLL
SCHEMBL15932473 0.90 ALDH1A1 (0.46) EPHX2ALDH1A1KDM4EKMT2ATSHR
SCHEMBL8229259 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EPHGDHMGLLPOLB
SCHEMBL12452076 0.85 MEN1 (0.56) EPHX2ALDH1A1KDM4EKMT2A
SCHEMBL13612604 0.84 L3MBTL3 (0.51) EPHX2ALDH1A1KDM4E
SCHEMBL12313355 0.83 MEN1 (0.54) EPHX2ALDH1A1KDM4EKMT2A
SCHEMBL24402289 0.82 NPC1 (0.46) EPHX2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL12801522 0.82 NPC1 (0.46) EPHX2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL18909113 0.82 EPHX2 (0.44) EPHX2ALDH1A1KDM4EKMT2ATSHR

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-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 EPHX2 3198/4885ALDH1A1 662/4885KDM4E 4801/4885

“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.