SCHEMBL6704080

SCHEMBL6704080

COc1ccccc1CN1CCN(C(=O)N(C(=NC(=O)O)NCc2cccc3ccccc23)C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
ALOX15 P16050 1/20 0.49
FAAH O00519 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6699516 0.89 SIGMAR1 (0.46) ALDH1A1KDM4EALOX15FAAHLMNA
SCHEMBL6696317 0.76 MEN1 (0.45) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6706266 0.76 KMT2A (0.47) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6699018 0.75 FAAH (0.55) ALDH1A1KDM4EALOX15FAAHCYP1A2
SCHEMBL6703772 0.70 KMT2A (0.48) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL6699023 0.69 HTR7 (0.77) ALDH1A1KDM4EALOX15FAAHCYP1A2
SCHEMBL6991655 0.67 KDM4E (0.65) ALDH1A1KDM4EALOX15CYP2D6LMNA
SCHEMBL16673587 0.67 FAAH (0.71) ALDH1A1KDM4EALOX15FAAHLMNA
SCHEMBL23293544 0.67 ACHE (0.60) ALDH1A1KDM4EFAAHLMNADRD2
SCHEMBL16830462 0.67 ACHE (0.60) ALDH1A1KDM4EFAAHLMNADRD2

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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HONG YUFENG (US) 2004-03-04 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C ALDH1A1 1696/4885KDM4E 3900/4885ALOX15 1613/4885

“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.