SCHEMBL4171929

SCHEMBL4171929

Fc1c(CNC2CC2)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.48
MRGPRX1 Q96LB2 1/20 0.41
EPHX2 P34913 1/20 0.41
TACR1 P25103 3/20 0.40
CD38 P28907 1/20 0.37

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
SCHEMBL5560421 0.86 MRGPRX1 (0.51) P2RX7MRGPRX1TACR1
SCHEMBL737438 0.83 P2RX7 (0.49) P2RX7
SCHEMBL738172 0.83 P2RX7 (0.50) P2RX7MRGPRX1TACR1
SCHEMBL737133 0.80 P2RX7 (0.42) P2RX7
SCHEMBL16269307 0.79 PRKCQ (0.52) P2RX7MRGPRX1EPHX2TACR1
SCHEMBL18677297 0.78 EPHX2 (0.48) P2RX7EPHX2
SCHEMBL11618053 0.77 LMNA (0.48) P2RX7MRGPRX1TACR1
SCHEMBL30606515 0.77 GLA (0.53) P2RX7
SCHEMBL736271 0.77 GLA (0.53) P2RX7
SCHEMBL16269143 0.76 CYP2D6 (0.49) P2RX7MRGPRX1EPHX2TACR1

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-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 P2RX7 117/4885MRGPRX1 831/4885EPHX2 1928/4885

“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.