SCHEMBL24616627

SCHEMBL24616627

COc1ccc(C(C)CCOc2cncc(C(C)C)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.38
CYP3A4 P08684 4/20 0.34
CYP2D6 P10635 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 1/20 0.34
HRH1 P35367 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32

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
SCHEMBL18884241 0.80 FDPS (0.41) OXTRTDP1TUBB4ATUBBTUBA3C
SCHEMBL23917658 0.78 CHRNB2 (0.36) TDP1
SCHEMBL21282961 0.73 GABRP (0.33)
SCHEMBL19231994 0.73 OXTR (0.40) OXTRHRH1TUBB4ATUBBTUBA3C
SCHEMBL12015774 0.73 CHRNB2 (0.44)
SCHEMBL26200716 0.73 ELOVL1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL2609318 0.72 OXTR (0.46) OXTRHRH1TUBB4ATUBBTUBA3C
SCHEMBL10141621 0.72 GGPS1 (0.40)
SCHEMBL24770345 0.71 AAK1 (0.33)
SCHEMBL20825721 0.71 SMN1; SMN2 (0.34) OXTRTDP1TUBB4ATUBBTUBA3C

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-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 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-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E OXTR 4469/4885CYP3A4 327/4885CYP2D6 904/4885

“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.