SCHEMBL30838092

SCHEMBL30838092

Cc1nc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)ncc1-c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ HCRTR1 O43613 5/20 0.38
▸ HCRTR2 O43614 4/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ APP P05067 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HRH2 P25021 1/20 0.38

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
SCHEMBL30838085 0.90 APP (0.45) PRMT5ALOX5APFEN1TRPV1HCRTR1
SCHEMBL30837966 0.87 TRPV1 (0.48) PRMT5ALOX5APFEN1TRPV1HCRTR1
SCHEMBL12479831 0.75 CFD (0.57) PRMT5HTR2CAPPHTR1AADRA2A
SCHEMBL12479834 0.75 CFD (0.57) PRMT5HTR2CAPPHTR1AADRA2A
Fumaric Acid SCHEMBL30838097 0.74 KCNH2 (0.41) CYP2D6HTR2CSLC6A2OPRK1MCHR1
SCHEMBL27095220 0.74 HCRTR1 (0.35) HCRTR1HCRTR2HTR2CAPPHTR1A
SCHEMBL1597836 0.73 PRMT5 (0.44) PRMT5ALOX5APFEN1TRPV1HCRTR1
SCHEMBL1597840 0.73 PRMT5 (0.44) PRMT5ALOX5APFEN1TRPV1HCRTR1
SCHEMBL888987 0.73 PRMT5 (0.48) PRMT5ALOX5APFEN1TRPV1HCRTR1
SCHEMBL30837959 0.73 CYP11B1 (0.39) ALOX5APFEN1HCRTR1HCRTR2

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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 PRMT5 754/4885ALOX5AP 2620/4885FEN1 2791/4885

“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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