SCHEMBL13959075

SCHEMBL13959075

CC(C)(C)NCc1ccc2ccc(Cl)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C8 P10632 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KLKB1 P03952 2/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35

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
SCHEMBL13959082 0.89 HDAC1 (0.49) PDE10ANR4A2CYP1A2CYP2C8CYP2D6
SCHEMBL14036658 0.79 HDAC1 (0.41) PDE10ANR4A2CYP1A2CYP2C8CYP2D6
SCHEMBL14094658 0.78 PDE10A (0.42) PDE10ANR4A2CYSLTR2CYSLTR1MEN1
SCHEMBL13958894 0.78 CYSLTR1 (0.49) PDE10ACYP1A2CYSLTR2CYSLTR1HDAC1
SCHEMBL13878246 0.75 NR4A2 (0.46) PDE10ANR4A2CYSLTR2CYSLTR1MEN1
SCHEMBL13959103 0.75 CYP1A2 (0.44) CYP1A2CYP2C8CYP2D6CYP2C19CYP2C9
SCHEMBL14432066 0.74 NPSR1 (0.41) CYP1A2CYP2C8CYP2D6CYP2C19CYP2C9
SCHEMBL3276372 0.73 NR4A2 (0.47) PDE10ANR4A2CYP1A2KMT2ANPSR1
SCHEMBL13959081 0.73 HDAC1 (0.49) PDE10ACYSLTR2CYSLTR1HDAC1HDAC2
SCHEMBL10401680 0.73 NR4A2 (0.43) PDE10ANR4A2CYP1A2CYSLTR2CYSLTR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — 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 (2 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP PDE10A 3669/4885NR4A2 4281/4885CYP1A2 4509/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP PDE10A 3669/4885NR4A2 4281/4885CYP1A2 4509/4885

“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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