SCHEMBL18294867

SCHEMBL18294867

COC(=O)c1ccc(Cc2c(C)n(CCCCN3CCCCC3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.47
▸ OPRK1 P41145 1/20 0.46
▸ SCARB1 Q8WTV0 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR7 P34969 1/20 0.43

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
SCHEMBL18294836 0.98 CNR2 (0.49) CNR2OPRK1SCARB1ABCB1KDM4E
SCHEMBL16880091 0.94 OPRK1 (0.52) OPRK1KDM4EGLAATMNPSR1
SCHEMBL18294868 0.90 SCARB1 (0.46) CNR2OPRK1SCARB1HRH1
Hydrochloric Acid SCHEMBL16880024 0.90 SCARB1 (0.45) CNR2OPRK1SCARB1HRH1
SCHEMBL16888558 0.89 SCARB1 (0.48) CNR2OPRK1SCARB1HRH1
SCHEMBL16880206 0.88 HRH1 (0.44) CNR2SCARB1HRH1
Hydrochloric Acid SCHEMBL16880109 0.88 SCARB1 (0.47) CNR2OPRK1SCARB1HRH1
SCHEMBL16879926 0.87 HRH1 (0.42) CNR2SCARB1HRH1
SCHEMBL16879907 0.87 HDAC1 (0.44) CNR2SCARB1KDM4ENPSR1
SCHEMBL16880036 0.86 SCARB1 (0.44) CNR2SCARB1HRH1

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 CNR2 866/4885OPRK1 2122/4885SCARB1 4581/4885

“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.

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