SCHEMBL23629145

SCHEMBL23629145

NCCc1c(N)cccc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.48
HTR2A P28223 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
CYP2A6 P11509 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
PIK3CA P42336 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
BACE1 P56817 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
SCHEMBL8967943 0.84 TAAR1 (0.54) TAAR1HTR2ASMN1; SMN2CYP2A6LOXL2
SCHEMBL30937520 0.82 TAAR1 (0.37) TAAR1HTR2ASMN1; SMN2LOXL2CYP3A4
SCHEMBL1398159 0.82 TAAR1 (0.37) TAAR1HTR2ASMN1; SMN2LOXL2CYP3A4
SCHEMBL20600227 0.81 TDP1 (0.33) TAAR1SMN1; SMN2CYP3A4TSHRALDH1A1
SCHEMBL20558456 0.78 TAAR1 (0.59) TAAR1HTR2ASMN1; SMN2CYP2A6LOXL2
SCHEMBL14253791 0.77 CYP3A4 (0.36) TAAR1SMN1; SMN2CYP3A4TSHRALDH1A1
SCHEMBL6911045 0.77 TAAR1 (0.47) TAAR1HTR2ASMN1; SMN2CYP2A6LOXL2
SCHEMBL29037467 0.76 CYP3A4 (0.35) TAAR1SMN1; SMN2CYP3A4TSHRALDH1A1
SCHEMBL1372190 0.76 GABRA1 (0.35) TAAR1SMN1; SMN2CYP3A4TSHRALDH1A1
SCHEMBL6204770 0.76 GABRA1 (0.39) TAAR1SMN1; SMN2CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548884-B2 Cyclic amidine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-01-10 US disclosed
EP-3847170-B1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3847170-B1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
US-20210340134-A1 CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-11-04 US disclosed
EP-3847170-A1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
CN-112654618-A Novel cyclic amidine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-13 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 (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-11548884-B2 Cyclic amidine compounds for the treatment of autoimmune disease TLR9, TLR7, TLR8 TAAR1 106/4885HTR2A 2152/4885SMN1; SMN2 2258/4885
US-20210340134-A1 CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR9, TLR7, TLR8 TAAR1 106/4885HTR2A 2152/4885SMN1; SMN2 2258/4885

“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.