SCHEMBL22247486

SCHEMBL22247486

Clc1cnc(OCC2CCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA7 P36544 1/20 0.34
EP300 Q09472 3/20 0.34
MCHR1 Q99705 1/20 0.34
ACACB O00763 1/20 0.34
HTR2C P28335 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB3 Q05901 1/20 0.33

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
SCHEMBL28408353 0.93 KDM1A (0.37) KDM1ACHRNA3CHRNB2CHRNB4CHRNA4
SCHEMBL23012629 0.82 HRH3 (0.41) CHRNA3CHRNB2CHRNB4CHRNA4CHRNB1
SCHEMBL18479320 0.80 KDM1A (0.40) KDM1APARP15PARP10PARP2CHRNA3
SCHEMBL20469383 0.75 EP300 (0.40) KDM1APARP15PARP10PARP2EP300
SCHEMBL1109070 0.74 CDK2 (0.40) KDM1APARP15PARP10EP300MCHR1
SCHEMBL15687850 0.73 MAP4K4 (0.42) PARP15PARP10PARP2ACACB
SCHEMBL30350762 0.72 MCHR1 (0.48) KDM1AMCHR1
SCHEMBL15776619 0.72 CNR2 (0.49)
SCHEMBL3270929 0.72 KDM1A (0.37) KDM1AEP300MCHR1
SCHEMBL19510612 0.72 MCHR1 (0.48) KDM1AMCHR1

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 KDM1A 2940/4885PARP15 2423/4885PARP10 2510/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B KDM1A 2940/4885PARP15 2423/4885PARP10 2510/4885

“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.