SCHEMBL21815399

SCHEMBL21815399

Cc1nc(Br)ccc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
ADRB1 P08588 4/20 0.47
HTR6 P50406 3/20 0.46
NCF1 P14598 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
HTR7 P34969 3/20 0.42
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR5A P47898 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL2366124 0.82 ADRB1 (0.50) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL20203439 0.80 ADRB1 (0.45) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL20037462 0.79 ADRB1 (0.47) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL18291344 0.79 NCF1 (0.48) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL20249385 0.78 HTR6 (0.47) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL21414484 0.77 ADRB1 (0.45) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL29215308 0.76 ADRB1 (0.44) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL29223122 0.74 ADRB1 (0.42) ADRB1HTR6NCF1ADRB2HTR3E
SCHEMBL27841113 0.73 MAPT (0.46) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL21414347 0.72 ADRB1 (0.41) ADRB1HTR6NCF1ADRB2HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 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 (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-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA CHRNB2 4310/4885CHRNA4 4039/4885ADRB1 2951/4885

“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.