SCHEMBL22247294

SCHEMBL22247294

Clc1cc(OCC2CC2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 3/20 0.37
CNR2 P34972 7/20 0.36
ATXN2 Q99700 1/20 0.35
PARP15 Q460N3 2/20 0.35
PARP10 Q53GL7 2/20 0.35
CNR1 P21554 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PARP2 Q9UGN5 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
SCHEMBL2705546 0.82 FFAR4 (0.39) KMOMEN1KMT2AACACBCNR2
SCHEMBL2704510 0.82 SLC6A4 (0.35) ACACBCNR2CNR1FFAR4
SCHEMBL6550887 0.82 ALOX5 (0.37) MEN1KMT2A
SCHEMBL31196325 0.80 HPGD (0.40) KMOMEN1KMT2AACACBCNR2
SCHEMBL26360891 0.79 MEN1 (0.33) MEN1KMT2A
SCHEMBL16290804 0.78 CDK2 (0.37) ACACBCNR2PARP15PARP10PARP2
SCHEMBL12468508 0.77 MCHR1 (0.35) MEN1KMT2AACACBFFAR4
SCHEMBL31196319 0.77 KMT2A (0.42) MEN1KMT2A
SCHEMBL6550881 0.75 MEN1 (0.30) MEN1KMT2A
SCHEMBL14727025 0.74 PDE4A (0.39) KMOCNR2ATXN2FFAR4

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-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

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 KMO 1058/4885MEN1 3938/4885KMT2A 3239/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B KMO 1058/4885MEN1 3938/4885KMT2A 3239/4885

“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.