SCHEMBL18294868

SCHEMBL18294868

COC(=O)c1ccc(Cc2c(C)n(CCCCN3CCNCC3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 1/20 0.46
▸ CNR2 P34972 1/20 0.43
▸ HRH1 P35367 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ AR P10275 1/20 0.40

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 SCHEMBL16880024 0.99 SCARB1 (0.45) SCARB1CNR2HRH1CNR1OPRD1
SCHEMBL16888558 0.98 SCARB1 (0.48) SCARB1CNR2HRH1CNR1OPRD1
Hydrochloric Acid SCHEMBL16880109 0.97 SCARB1 (0.47) SCARB1CNR2HRH1CNR1OPRD1
SCHEMBL18296928 0.94 CNR1 (0.47) SCARB1CNR2CNR1OPRD1OPRK1
Hydrochloric Acid SCHEMBL16880008 0.93 CNR1 (0.46) SCARB1CNR2CNR1OPRD1OPRK1
SCHEMBL18294867 0.90 CNR2 (0.47) SCARB1CNR2HRH1OPRK1
SCHEMBL18294836 0.89 CNR2 (0.49) SCARB1CNR2OPRK1
SCHEMBL16880206 0.86 HRH1 (0.44) SCARB1CNR2HRH1CNR1HDAC1
SCHEMBL16879926 0.85 HRH1 (0.42) SCARB1CNR2HRH1CNR1HDAC1
SCHEMBL16879907 0.85 HDAC1 (0.44) SCARB1CNR2HDAC1HDAC6AR

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 2 patents. 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
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 SCARB1 4581/4885CNR2 866/4885HRH1 548/4885

“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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