SCHEMBL25232012

SCHEMBL25232012

CC1CN(C(=O)O)CCN1c1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
GRM1 Q13255 2/20 0.44
PANK3 Q9H999 1/20 0.41
CHRM1 P11229 2/20 0.41
SLC6A7 Q99884 1/20 0.41
PARP1 P09874 2/20 0.40
AVPR1A P37288 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
SMO Q99835 3/20 0.37
SGPL1 O95470 1/20 0.37
ACACB O00763 1/20 0.36

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
SCHEMBL25232011 1.00 AKR1C3 (0.45) AKR1C3GRM1PANK3CHRM1SLC6A7
SCHEMBL30281529 0.83 GPR119 (0.51)
SCHEMBL31070375 0.83 GPR119 (0.51)
SCHEMBL25666892 0.83 GPR119 (0.51)
SCHEMBL31070380 0.83 GPR119 (0.51)
SCHEMBL14913148 0.83 GRM1 (0.40) GRM1CHRM1SLC6A7SMO
SCHEMBL16112455 0.82 AKR1C3 (0.42) AKR1C3PANK3CHRM1KDM4EMAPT
SCHEMBL18152253 0.82 SLC6A7 (0.49) GRM1PANK3SLC6A7SMO
SCHEMBL16822 0.82 SLC6A7 (0.49) GRM1PANK3SLC6A7SMO
SCHEMBL1735011 0.81 SGPL1 (0.51) KDM4EMAPTPOLBSMOSGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589467-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 CN disclosed
CN-116589466-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2023-08-15 CN disclosed
US-20230167118-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-06-01 US disclosed
CN-115485278-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligands and methods of use thereof 百济神州有限公司 2022-12-16 CN 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-20230167118-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, SYK AKR1C3 3809/4885GRM1 3192/4885PANK3 1499/4885

“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.