SCHEMBL21726744

SCHEMBL21726744

O=C(NC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.42
▸ GRN P28799 2/20 0.39
▸ SORT1 Q99523 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCN9A Q15858 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
SCHEMBL18860231 1.00 P2RX7 (0.42) P2RX7GRNSORT1MEN1KMT2A
SCHEMBL18838481 0.91 TAS1R3 (0.48) P2RX7MEN1KMT2ATAS1R3TAS1R1
SCHEMBL29361646 0.91 TAS1R3 (0.48) P2RX7MEN1KMT2ATAS1R3TAS1R1
SCHEMBL18838443 0.91 TAS1R3 (0.48) P2RX7MEN1KMT2ATAS1R3TAS1R1
SCHEMBL18838441 0.91 TAS1R3 (0.48) P2RX7MEN1KMT2ATAS1R3TAS1R1
SCHEMBL20547192 0.80 SCN9A (0.41) P2RX7GRNSORT1KCNH2CACNA1H
SCHEMBL18838271 0.80 SCN9A (0.41) P2RX7GRNSORT1KCNH2CACNA1H
SCHEMBL18838283 0.80 SCN9A (0.41) P2RX7GRNSORT1KCNH2CACNA1H
SCHEMBL18838296 0.79 EZH2 (0.45) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL18838509 0.77 P2RX7 (0.48) P2RX7GRNSORT1RAB9AKCNH2

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H P2RX7 233/4885GRN 1926/4885SORT1 4064/4885

“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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