SCHEMBL20354254

SCHEMBL20354254

Fc1cc(Br)cnc1N1CC2(COC2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ GRIA1 P42261 5/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ TTK P33981 2/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ IDH1 O75874 1/20 0.31

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
SCHEMBL19698611 0.82 CHRM4 (0.43) CHRM4CYP1A2CNR2LRRK2SYK
SCHEMBL20354242 0.81 ACACB (0.40) CHRM4ACACBCNR2IDH1
SCHEMBL20354252 0.80 ACACB (0.39) ACACBIDH1
SCHEMBL31727812 0.79 CNR2 (0.34) CHRM4CYP1A2GRIA1CNR2LRRK2
SCHEMBL17478633 0.77 OPRK1 (0.50) —
SCHEMBL20354191 0.77 ACACB (0.40) ACACB
SCHEMBL30867832 0.77 CHRM4 (0.40) CHRM4CYP1A2GRIA1CNR2LRRK2
SCHEMBL31195824 0.76 KDM4E (0.51) LRRK2SYK
SCHEMBL1707909 0.76 KDM4E (0.51) LRRK2SYK
SCHEMBL17316555 0.74 HTT (0.41) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814393-B2 Substituted guanidine compounds UBE CORPORATION (JP) 2023-11-14 — — US disclosed
US-11814393-B2 Substituted guanidine compounds UBE CORPORATION (JP) 2023-11-14 — — US disclosed
US-11814393-B2 Substituted guanidine compounds UBE CORPORATION (JP) 2023-11-14 — — US disclosed
US-20220315599-A1 SUBSTITUTED GUANIDINE COMPOUNDS UBE CORP (JP) 2022-10-06 — — US disclosed
US-11396514-B2 Substituted guanidine compounds UBE CORPORATION 2022-07-26 — — US disclosed
CN-110114350-B Substituted guanidine compounds 宇部兴产株式会社 2022-03-04 — — CN disclosed
EP-3564230-B1 SUBSTITUTED GUANIDINE COMPOUND UBE INDUSTRIES (JP) 2022-02-09 — — EP disclosed
US-20190337962-A1 SUBSTITUTED GUANIDINE COMPOUNDS UBE INDUSTRIES, LTD. (JP) 2019-11-07 — — US disclosed
EP-3564230-A1 SUBSTITUTED GUANIDINE COMPOUND UBE Industries, Ltd. (JP) 2019-11-06 — — EP disclosed
WO-2018124179-A1 SUBSTITUTED GUANIDINE COMPOUND 宇部興産株式会社 2018-07-05 — — 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 (4 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-20220315599-A1 SUBSTITUTED GUANIDINE COMPOUNDS GMPS, PDE3B, GUCY1A2 CHRM4 741/4885CYP1A2 226/4885ACACB 3375/4885
US-11814393-B2 Substituted guanidine compounds GMPS, PDE3B, GUCY1A2 CHRM4 741/4885CYP1A2 226/4885ACACB 3375/4885
US-11396514-B2 Substituted guanidine compounds GMPS, PDE3B, GUCY1A2 CHRM4 741/4885CYP1A2 226/4885ACACB 3375/4885
US-20190337962-A1 SUBSTITUTED GUANIDINE COMPOUNDS GMPS, PDE3B, GUCY1A2 CHRM4 741/4885CYP1A2 226/4885ACACB 3375/4885

“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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