SCHEMBL2243530

SCHEMBL2243530

O=C(Cc1cc(F)cc(F)c1)Nc1cccc2nc(NC3CCc4cc(F)ccc43)ccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.45
P2RX7 Q99572 6/20 0.39
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNQ2 O43526 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL2243123 0.94 TRPV1 (0.45) TRPV1P2RX7GALR3HTTRAB9A
SCHEMBL2238868 0.93 PARP1 (0.40) TRPV1P2RX7GALR3HTTRAB9A
SCHEMBL2243312 0.91 ALDH1A1 (0.48) TRPV1P2RX7GALR3HTTRAB9A
SCHEMBL2243012 0.88 P2RX3 (0.43) TRPV1P2RX7SMN1; SMN2KCNQ2MAPT
SCHEMBL2242730 0.87 ROCK2 (0.42) TRPV1P2RX7GALR3HTTRAB9A
SCHEMBL2242765 0.86 TRPV1 (0.49) TRPV1HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL2242997 0.86 TRPV1 (0.45) TRPV1P2RX7
SCHEMBL2243003 0.86 TRPV1 (0.45) TRPV1P2RX7
SCHEMBL2240751 0.85 MC4R (0.38) P2RX7GALR3HTTRAB9ASMN1; SMN2
SCHEMBL2243238 0.80 ALDH1A1 (0.51) TRPV1P2RX7SMN1; SMN2KCNQ2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US claimed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B TRPV1 486/4885P2RX7 466/4885GALR3 148/4885

“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.