SCHEMBL18702072

SCHEMBL18702072

CC(C)(C)C(=O)N1CCC(C(CO)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.38
▸ SPR P35270 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL18702218 0.89 DPP4 (0.41) DPP4SPRDRD2DRD4DRD3
SCHEMBL18702075 0.85 SPR (0.39) DPP4SPRDRD2DRD4DRD3
SCHEMBL18711892 0.84 DPP4 (0.39) DPP4SPR
SCHEMBL18702215 0.84 SPR (0.40) DPP4SPRDRD2DRD4DRD3
SCHEMBL18701928 0.79 DPP4 (0.40) DPP4SPRDRD2DRD4DRD3
SCHEMBL18702092 0.76 DPP4 (0.43) DPP4DRD2DRD4DRD3IDO1
SCHEMBL13223496 0.76 DPP4 (0.43) DPP4DRD2DRD4DRD3IDO1
SCHEMBL18702076 0.76 DPP4 (0.39) DPP4SPRDRD2DRD4DRD3
SCHEMBL2603238 0.74 DPP4 (0.44) DPP4DRD2DRD4DRD3IDO1
SCHEMBL18711300 0.72 DPP4 (0.40) DPP4SPR

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
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR DPP4 1129/4885SPR 1/4885DRD2 1811/4885

“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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