SCHEMBL22247446

SCHEMBL22247446

Cc1cc(OCC2CCC2)cnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
PARP15 Q460N3 2/20 0.39
PARP10 Q53GL7 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL20772602 0.93 CHRNB2 (0.40) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7525265 0.81 KDM1A (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7413475 0.80 CHRNB2 (0.58) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL16461977 0.80 KDM1A (0.42) PARP15PARP10PARP2
SCHEMBL7824499 0.80 CHRNB2 (0.58) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7827076 0.80 CHRNA3 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7825495 0.80 CHRNA3 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7826412 0.79 CHRNB2 (0.57) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7827114 0.79 CHRNB4 (0.67) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL7825587 0.79 CHRNB4 (0.67) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020381-B2 Biaryloxy derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2021-06-01 US disclosed
US-11020381-B2 Biaryloxy derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2021-06-01 US disclosed
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-23 US disclosed
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-23 US disclosed
EP-3676248-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc. (JP) 2020-07-08 EP disclosed
CN-111132961-A Bisaryloxy derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
WO-2019045035-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2019-03-07 WO 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 (2 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-11020381-B2 Biaryloxy derivatives as TTX-S blockers SCN1B, SCN3A, SCN2B CHRNB4 171/4885CHRNA3 127/4885CHRNA7 159/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B CHRNB4 171/4885CHRNA3 127/4885CHRNA7 159/4885

“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.