SCHEMBL18296928

SCHEMBL18296928

COC(=O)c1ccc(Cc2c(C)n(CCN3CCNCC3)c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.47
▸ OPRK1 P41145 1/20 0.46
▸ OPRD1 P41143 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ AR P10275 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SCARB1 Q8WTV0 1/20 0.41

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
Hydrochloric Acid SCHEMBL16880008 0.99 CNR1 (0.46) CNR1OPRK1OPRD1CNR2AR
SCHEMBL18294868 0.94 SCARB1 (0.46) CNR1OPRK1OPRD1CNR2AR
SCHEMBL16888558 0.94 SCARB1 (0.48) CNR1OPRK1OPRD1CNR2HDAC1
Hydrochloric Acid SCHEMBL16880024 0.93 SCARB1 (0.45) CNR1OPRK1OPRD1CNR2AR
Hydrochloric Acid SCHEMBL16880109 0.93 SCARB1 (0.47) CNR1OPRK1OPRD1CNR2HDAC1
SCHEMBL16880155 0.90 CNR1 (0.48) CNR1OPRK1CNR2
SCHEMBL16880091 0.90 OPRK1 (0.52) CNR1OPRK1
SCHEMBL16880305 0.89 CNR1 (0.48) CNR1OPRK1CNR2AR
SCHEMBL16880308 0.89 CNR1 (0.60) CNR1CNR2
SCHEMBL16879981 0.88 CNR1 (0.47) CNR1OPRK1CNR2HDAC1HDAC6

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-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 — — 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-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC2, HDAC1, HDAC3 CNR1 1113/4885OPRK1 2122/4885OPRD1 1850/4885

“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.

Send feedback