SCHEMBL16880209

SCHEMBL16880209

COC(=O)c1ccc(Cc2c(C)n(CCC3CCN(CC(C)(C)F)CC3)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ HRH1 P35367 2/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ HTR4 Q13639 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SCARB1 Q8WTV0 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL16880130 0.92 HRH1 (0.41) CHRM4CNR2HRH1CNR1HTR4
SCHEMBL16879919 0.92 PTGER4 (0.41) CHRM4CNR2HRH1HTR4KDM4E
SCHEMBL16880079 0.92 CHRM4 (0.40) CHRM4CNR2HRH1CNR1LTA4H
SCHEMBL16880158 0.90 HDAC6 (0.48) HTR4HDAC1HDAC6
SCHEMBL16880386 0.90 CNR2 (0.40) CHRM4CNR2HRH1LTA4HKDM4E
SCHEMBL16880221 0.89 HRH1 (0.40) CHRM4CNR2HRH1CNR1LTA4H
SCHEMBL16880097 0.88 SCARB1 (0.43) CNR2HRH1CNR1SCARB1HDAC1
SCHEMBL16879926 0.88 HRH1 (0.42) CNR2HRH1CNR1SCARB1HDAC1
SCHEMBL16880090 0.86 PTGER4 (0.39) CNR2HRH1SCARB1HDAC1HDAC6
SCHEMBL18294854 0.86 CNR2 (0.52) CNR2HRH1CNR1KDM4EHDAC1

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 CHRM4 3131/4885CNR2 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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