SCHEMBL3963694

SCHEMBL3963694

O=C(O)C[C@@H]1CNc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
GRIK2 Q13002 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3959411 1.00 TACR2 (0.43) TACR2PTGDR2PPARGPPARDGRIK2
SCHEMBL3959416 1.00 TACR2 (0.43) TACR2PTGDR2PPARGPPARDGRIK2
SCHEMBL6693938 0.87 TACR2 (0.40) TACR2PTGDR2HCAR2HTR1AHTR1D
SCHEMBL10204476 0.85 TACR2 (0.40) TACR2PTGDR2GRIK2HCAR2HTR1A
SCHEMBL12369307 0.84 CHRNB2 (0.37) PPARGPPARDCHRNB2CHRNA4KMT2A
SCHEMBL13068763 0.84 TACR2 (0.39) TACR2PTGDR2HTR1AHTR1DHTR1F
SCHEMBL27739871 0.83 CMA1 (0.42) TACR2HTR1AHTR1DHTR1F
SCHEMBL12363994 0.83 CMA1 (0.42) TACR2HTR1AHTR1DHTR1F
SCHEMBL416746 0.83 TACR2 (0.40) TACR2PTGDR2MEN1KMT2A
SCHEMBL27718829 0.81 LMNA (0.38) TACR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 US disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A TACR2 96/4885PTGDR2 57/4885PPARG 2069/4885

“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.