SCHEMBL18702076

SCHEMBL18702076

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ SPR P35270 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ SLC9A1 P19634 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CXCR3 P49682 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP3 P42574 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ CYP3A5 P20815 1/20 0.30

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
SCHEMBL18711730 0.83 SPR (0.38) DPP4SPRMEN1KMT2A
SCHEMBL18702092 0.81 DPP4 (0.43) DPP4CYP3A4IDO1DRD2DRD4
SCHEMBL18701928 0.80 DPP4 (0.40) DPP4CYP3A4SPRIDO1DRD2
SCHEMBL18702218 0.77 DPP4 (0.41) DPP4CYP3A4SPRIDO1DRD2
SCHEMBL18702072 0.76 DPP4 (0.38) DPP4CYP3A4SPRIDO1DRD2
SCHEMBL2603238 0.75 DPP4 (0.44) DPP4CYP3A4IDO1DRD2DRD4
SCHEMBL13223496 0.74 DPP4 (0.43) DPP4CYP3A4IDO1DRD2DRD4
SCHEMBL18702075 0.74 SPR (0.39) DPP4CYP3A4SPRIDO1DRD2
SCHEMBL18702215 0.73 SPR (0.40) DPP4CYP3A4SPRIDO1DRD2
SCHEMBL20469332 0.73 DPP4 (0.40) DPP4CYP3A4DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1129/4885CYP3A4 436/4885SPR 1/4885

“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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