SCHEMBL18701928

SCHEMBL18701928

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ VNN1 O95497 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SPR P35270 2/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ CASP3 P42574 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
SCHEMBL18711419 0.82 VNN1 (0.39) DPP4VNN1MEN1KMT2ASPR
SCHEMBL18702092 0.80 DPP4 (0.43) DPP4IDO1CYP3A4MEN1KMT2A
SCHEMBL13223496 0.80 DPP4 (0.43) DPP4IDO1CYP3A4MEN1KMT2A
SCHEMBL18702218 0.80 DPP4 (0.41) DPP4IDO1CYP3A4MEN1KMT2A
SCHEMBL18702076 0.80 DPP4 (0.39) DPP4IDO1CYP3A4MEN1KMT2A
SCHEMBL2423313 0.79 EPHX2 (0.44) VNN1CYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL7422195 0.79 HPGD (0.50) DPP4ALDH1A1HTT
SCHEMBL18702072 0.79 DPP4 (0.38) DPP4IDO1CYP3A4MEN1KMT2A
SCHEMBL2603238 0.78 DPP4 (0.44) DPP4IDO1CYP3A4MEN1KMT2A
SCHEMBL2422078 0.78 VNN1 (0.40) DPP4VNN1CYP2C9SPRCNR2

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 1129/4885VNN1 912/4885IDO1 344/4885

“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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