SCHEMBL6826869

SCHEMBL6826869

CN([C]=O)CCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
HRH1 P35367 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 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
SCHEMBL1300012 0.80 TAAR1 (0.59) KMT2AMEN1NPC1TAAR1
SCHEMBL5513951 0.80 MMP13 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL210990 0.77 TAAR1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6654081 0.76 NOS2 (0.50) KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4447413 0.73 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4001727 0.72 KDM4E (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4387675 0.72 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11170502 0.72 KMT2A (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4487134 0.72 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6430952 0.71 SIGMAR1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1531527-A Carbazole derivatives and their use as neuropeptide Y5 receptor ligands 2004-09-22 CN disclosed
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands ASTRAZENECA AB (SE) 2004-04-08 US disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 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-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands NPY5R, NPY1R, NPY2R CYP1A2 1355/4885CYP3A4 1124/4885CYP2D6 761/4885

“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.