SCHEMBL16879926

SCHEMBL16879926

COC(=O)c1ccc(Cc2c(C)n(CCCCN3CCN(CC(C)(C)F)CC3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.42
▸ SCARB1 Q8WTV0 1/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AR P10275 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37

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
SCHEMBL16880097 0.98 SCARB1 (0.43) HRH1SCARB1CNR1CNR2HDAC1
SCHEMBL16880206 0.92 HRH1 (0.44) HRH1SCARB1CNR1CNR2HDAC1
SCHEMBL16880036 0.90 SCARB1 (0.44) HRH1SCARB1CNR1CNR2HDAC1
SCHEMBL16879860 0.90 HDAC6 (0.50) HDAC1HDAC6
SCHEMBL18294870 0.89 NPC1 (0.39) CNR1CNR2HDAC1HDAC6PLA2G2A
SCHEMBL16880209 0.88 CHRM4 (0.41) HRH1SCARB1CNR1CNR2HDAC1
SCHEMBL16880336 0.88 HDAC6 (0.50) HDAC1HDAC6
SCHEMBL18294871 0.88 HDAC1 (0.39) CNR1CNR2HDAC1HDAC6PLA2G2A
SCHEMBL18294867 0.87 CNR2 (0.47) HRH1SCARB1CNR2
SCHEMBL16880198 0.87 PTGER4 (0.44) SCARB1CNR1

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 5 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
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 — — US disclosed
EP-3089977-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-11-09 — — EP disclosed
WO-2015102426-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-07-09 — — WO 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 HRH1 548/4885SCARB1 4581/4885CNR1 1113/4885

“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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