SCHEMBL21986846

SCHEMBL21986846

Cc1ccc2ncn(C)c2c1CO

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.51
▸ DPP8 Q6V1X1 6/20 0.51
▸ NOTUM Q6P988 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NSD2 O96028 1/20 0.31

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
Hydrochloric Acid SCHEMBL21986831 0.81 DPP4 (0.65) DPP4DPP8
SCHEMBL21986820 0.76 DPP4 (0.46) DPP4DPP8
SCHEMBL21049576 0.76 DPP4 (0.46) DPP4DPP8
SCHEMBL21986872 0.75 DPP4 (0.45) DPP4DPP8
SCHEMBL10673703 0.74 DPP4 (0.49) DPP4DPP8NOTUMALDH1A1
SCHEMBL13676395 0.73 DPP4 (0.44) DPP4DPP8NOTUMHPGD
SCHEMBL17595584 0.70 DPP4 (0.56) DPP4DPP8KDM4E
SCHEMBL31302317 0.70 DPP4 (0.43) DPP4DPP8ALDH1A1HPGDKDM4E
SCHEMBL22349064 0.70 DPP4 (0.42) DPP4DPP8
SCHEMBL3143786 0.68 DPP4 (1.00) DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — EP 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B DPP4 3639/4885DPP8 3130/4885NOTUM 3358/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B DPP4 3639/4885DPP8 3130/4885NOTUM 3358/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B DPP4 3639/4885DPP8 3130/4885NOTUM 3358/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B DPP4 3639/4885DPP8 3130/4885NOTUM 3358/4885

“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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