SCHEMBL6752117

SCHEMBL6752117

CCC(C)(CCC1CCN(Cc2cc3c(cc2OC)Sc2nccnc2N3COC)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 8/20 0.45
FAAH O00519 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CHRM4 P08173 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31

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
SCHEMBL6752121 0.86 ICAM1 (0.35) ICAM1FAAHPOLBMEN1KMT2A
SCHEMBL7149885 0.85 ICAM1 (0.53) ICAM1FAAHPOLBMEN1KMT2A
SCHEMBL8522771 0.83 ICAM1 (0.43) ICAM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7149891 0.79 ALDH1A1 (0.35) ICAM1FAAHPOLBMEN1KMT2A
SCHEMBL6751888 0.69 ICAM1 (0.43) ICAM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6751892 0.69 ICAM1 (0.43) ICAM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6746486 0.67 ICAM1 (0.42) ICAM1FAAH
SCHEMBL7173360 0.67 ICAM1 (0.45) ICAM1MEN1KMT2ADRD2
SCHEMBL7180856 0.67 ICAM1 (0.42) ICAM1FAAHMEN1KMT2AALDH1A1
SCHEMBL6749892 0.67 ALDH1A1 (0.36) ALDH1A1TDP1KDM4E

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 ICAM1 412/4885FAAH 604/4885POLB 2838/4885

“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.