SCHEMBL25850487

SCHEMBL25850487

N#Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCCOC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.40
TIPARP Q7Z3E1 1/20 0.39
TSHR P16473 2/20 0.38
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
AR P10275 3/20 0.37
LMNA P02545 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL24155090 1.00 TAS2R14 (0.40) TAS2R14TIPARPTSHRPRKCQPRKCD
SCHEMBL28994459 0.82 EPHX2 (0.37) TIPARPPRKCQPRKCDARCTSS
SCHEMBL28994460 0.82 EPHX2 (0.37) TIPARPPRKCQPRKCDARCTSS
SCHEMBL30294671 0.79 TAS2R14 (0.39) TAS2R14TSHRLMNAIKBKETBK1
SCHEMBL22853016 0.79 TAS2R14 (0.39) TAS2R14TSHRLMNAIKBKETBK1
SCHEMBL22853012 0.79 TAS2R14 (0.39) TAS2R14TSHRLMNAIKBKETBK1
SCHEMBL30294557 0.79 TAS2R14 (0.39) TAS2R14TSHRLMNAIKBKETBK1
SCHEMBL22853404 0.76 TAS2R14 (0.43) TAS2R14PRKCQPRKCDAR
SCHEMBL3630713 0.73 PDE1B (0.41) PRKCQPRKCDTBK1CTSKMEN1
SCHEMBL3630716 0.73 PDE1B (0.41) PRKCQPRKCDTBK1CTSKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 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-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 TAS2R14 1112/4885TIPARP 4441/4885TSHR 1360/4885

“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.