SCHEMBL13959082

SCHEMBL13959082

CC(C)(C)NCc1ccc2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ PDE10A Q9Y233 1/20 0.43
▸ FAAH O00519 1/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C8 P10632 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL13959075 0.89 PDE10A (0.42) HDAC1HDAC2PDE10AHTR3ACYP1A2
SCHEMBL13959081 0.81 HDAC1 (0.49) HDAC1HDAC2PDE10AMEN1KMT2A
SCHEMBL13959104 0.80 TERT (0.47) —
SCHEMBL14125003 0.79 HDAC1 (0.51) HDAC1HDAC2PDE10AFAAHHTR3A
SCHEMBL13959073 0.79 NCF1 (0.50) HDAC1HDAC2PDE10ACYP1A2CYP2C8
SCHEMBL14094657 0.79 PDE10A (0.43) HDAC1HDAC2PDE10AFAAHHTR3A
SCHEMBL13972831 0.78 ALDH1A1 (0.35) HDAC1HDAC2CYP1A2CYP2D6CYP2C19
SCHEMBL13958894 0.77 CYSLTR1 (0.49) HDAC1HDAC2PDE10ACYP1A2
SCHEMBL13959103 0.77 CYP1A2 (0.44) CYP1A2CYP2C8CYP2D6CYP2C19CYP2C9
SCHEMBL9022559 0.76 PDE10A (0.46) HDAC1HDAC2PDE10AFAAHHTR3A

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 HDAC1 4292/4885HDAC2 4632/4885PDE10A 3669/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP HDAC1 4292/4885HDAC2 4632/4885PDE10A 3669/4885

“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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