SCHEMBL4208304

SCHEMBL4208304

C[C@H]1CN(Cc2cccc(-c3ccc(CN)s3)c2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM3 P20309 1/20 0.42
MGLL Q99685 8/20 0.41
ACKR3 P25106 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
SLC2A1 P11166 1/20 0.37
CCR1 P32246 1/20 0.37
FAAH O00519 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
SCHEMBL4049724 0.92 CHRM3 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL1631722 0.89 CHRM3 (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL3401374 0.85 MGLL (0.47) MGLLPTGDR2FAAH
SCHEMBL1632744 0.81 CHRM3 (0.43) CHRM3MGLLACKR3KLKB1KLK1
SCHEMBL4049340 0.78 MGLL (0.43) CHRM3MGLLPTGDR2CCR1FAAH
SCHEMBL3399340 0.78 MGLL (0.43) MGLLPTGDR2FAAH
SCHEMBL3395625 0.78 CHRM3 (0.49) CHRM3MGLL
SCHEMBL1631726 0.76 CYP2E1 (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4966502 0.76 CHRM3 (0.39) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL1362389 0.76 MGLL (0.41) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 CYP2E1 4480/4885CYP3A4 3457/4885CYP2A6 3702/4885

“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.