SCHEMBL4404834

SCHEMBL4404834

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CO)C(=O)N([C@H]1CCN(C(=O)OC(C)(C)C)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.44
▸ DPP8 Q6V1X1 10/20 0.41
▸ DPP9 Q86TI2 8/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PIK3CA P42336 1/20 0.38

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
SCHEMBL2703968 0.96 DPP4 (0.46) DPP4DPP8DPP9TP53CYP3A4
SCHEMBL2703047 0.89 DPP4 (0.44) DPP4DPP8DPP9CYP3A4
SCHEMBL2705021 0.88 DPP4 (0.41) DPP4DPP8DPP9MDM2TP53
SCHEMBL2705023 0.88 DPP4 (0.41) DPP4DPP8DPP9MDM2TP53
SCHEMBL4020045 0.86 DPP4 (0.45) DPP4DPP8DPP9CYP3A4
SCHEMBL4408181 0.84 DPP4 (0.41) DPP4DPP8DPP9CYP3A4
SCHEMBL2704020 0.84 DPP4 (0.43) DPP4DPP8DPP9MDM2TP53
SCHEMBL4405098 0.84 DPP4 (0.51) DPP4DPP8DPP9CYP3A4
Hydrochloric Acid SCHEMBL2703325 0.83 DPP4 (0.50) DPP4DPP8DPP9CYP3A4
SCHEMBL2701634 0.83 GPR119 (0.39) DPP4DPP8DPP9MDM2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
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
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 DPP4 1/4885DPP8 7/4885DPP9 2/4885

“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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