SCHEMBL18702191

SCHEMBL18702191

CC(C)(C)C(=O)N1CCN(CC(F)(F)F)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.49
▸ AOC2 O75106 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SPR P35270 1/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ RIPK1 Q13546 2/20 0.37
▸ USP19 O94966 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL18711637 0.84 P2RX7 (0.51) P2RX7SPRPARP1PARP2USP19
SCHEMBL3633807 0.81 P2RX7 (0.46) P2RX7SPRMEN1KMT2A
SCHEMBL13472124 0.79 P2RX7 (0.48) P2RX7AOC2MAOAPARP1PARP2
SCHEMBL12168493 0.73 P2RX7 (0.39) P2RX7SPR
SCHEMBL16131661 0.73 P2RX7 (0.40) P2RX7SPRPARP1PARP2
SCHEMBL18701901 0.73 KMT2A (0.40) MEN1KMT2A
SCHEMBL13223521 0.73 P2RX7 (0.44) P2RX7AOC2MAOAHRH3RIPK1
SCHEMBL12188401 0.70 P2RX7 (0.39) P2RX7SPR
SCHEMBL25320634 0.69 P2RX7 (0.49) P2RX7PARP1PARP2HRH3USP19
SCHEMBL23370133 0.69 AOC2 (0.62) P2RX7AOC2MAOAHRH3RIPK1

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 P2RX7 2248/4885AOC2 4086/4885MAOA 513/4885

“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.

Send feedback