SCHEMBL8446881

SCHEMBL8446881

C=C(C)OC(=O)N1CCC(N2Cc3nc(C)c(C(=O)OCc4ccccc4)c(-c4ccc(Cl)cc4Cl)c3C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 1/20 0.38
▸ TRPC7 Q9HCX4 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DPP4 P27487 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ CTSS P25774 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL4408122 0.94 SMN1; SMN2 (0.38) TRPC3TRPC7SMN1; SMN2ALDH1A1MAPT
SCHEMBL2706200 0.90 TP53 (0.40) TRPC3TRPC7SMN1; SMN2DPP4CYP3A4
SCHEMBL8444738 0.89 DPP4 (0.37) ALDH1A1MAPTDPP4CYP3A4DPP8
SCHEMBL2703644 0.86 DPP4 (0.39) SMN1; SMN2ALDH1A1MAPTDPP4CYP3A4
SCHEMBL2701634 0.86 GPR119 (0.39) TRPC3TRPC7DPP4CYP3A4CYP2C19
SCHEMBL2701632 0.86 GPR119 (0.39) TRPC3TRPC7DPP4CYP3A4CYP2C19
SCHEMBL2702835 0.86 DPP4 (0.39) SMN1; SMN2ALDH1A1MAPTDPP4CYP3A4
SCHEMBL2705049 0.86 DPP4 (0.39) SMN1; SMN2ALDH1A1MAPTDPP4CYP3A4
SCHEMBL4408181 0.83 DPP4 (0.41) DPP4CYP3A4DPP8DPP9
SCHEMBL2704020 0.77 DPP4 (0.43) MAPTNPSR1DPP4DPP8DPP9

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-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 TRPC3 4373/4885TRPC7 3701/4885SMN1; SMN2 4386/4885

“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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