SCHEMBL14036658

SCHEMBL14036658

CCNCc1ccc2ccc(Cl)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C8 P10632 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ KLKB1 P03952 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 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
SCHEMBL14125003 0.89 HDAC1 (0.51) HDAC1HDAC2PDE10ACYP1A2CYP2C8
SCHEMBL14128956 0.81 PDE10A (0.49) PDE10ANR4A2HTR3EHTR3BHTR3A
SCHEMBL13878246 0.80 NR4A2 (0.46) PDE10ANR4A2CYSLTR2CYSLTR1HTR3E
SCHEMBL13959075 0.79 PDE10A (0.42) HDAC1HDAC2PDE10ANR4A2CYP1A2
SCHEMBL1039381 0.77 KDM1A (0.48) HDAC1HDAC2PDE10ACYP1A2CYSLTR2
SCHEMBL3276372 0.74 NR4A2 (0.47) PDE10ANR4A2CYP1A2HTR3EHTR3B
SCHEMBL14124923 0.74 CYP1A2 (0.42) CYP1A2CYP2C8CYP2D6CYP2C19CYP3A4
SCHEMBL10401680 0.74 NR4A2 (0.43) PDE10ANR4A2CYP1A2CYSLTR2CYSLTR1
SCHEMBL203068 0.73 CCR1 (0.48) PDE10ANR4A2CYP1A2HTR3EHTR3B
SCHEMBL29518426 0.73 CCR1 (0.48) PDE10ANR4A2CYP1A2HTR3EHTR3B

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-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

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-20080287347-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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