SCHEMBL5848826

SCHEMBL5848826

NCCc1cccnc1Br

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.52
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HRH1 P35367 3/20 0.45
DPP4 P27487 1/20 0.40
HTR2A P28223 2/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CHRNA7 P36544 1/20 0.39
PARP1 P09874 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL5728823 0.83
SCHEMBL27865425 0.81 CYP11B1 (0.47) TAAR1CYP11B1CYP11B2DPP4HTR2A
Hydrochloric Acid SCHEMBL3289663 0.81 CYP11B1 (0.47) TAAR1CYP11B1CYP11B2HRH1DPP4
SCHEMBL13430054 0.79 CYP11B1 (0.46) TAAR1CYP11B1CYP11B2TRIM24TRIM33
SCHEMBL7941717 0.79 CYP11B1 (0.46) CYP11B1CYP11B2TRIM24TRIM33PARP1
SCHEMBL3913471 0.79 CYP11B1 (0.46) CYP11B1CYP11B2TRIM24TRIM33PARP1
SCHEMBL317658 0.77 BACE1 (0.53) TAAR1HRH1DPP4HTR2ACHRNA7
SCHEMBL28126688 0.77 HRH1 (0.47) TAAR1HRH1DPP4HTR2ACHRNA7
SCHEMBL30950077 0.76 CYP11B1 (0.44) CYP11B1CYP11B2TRIM24TRIM33PARP1
SCHEMBL27938298 0.76 CYP11B1 (0.44) CYP11B1CYP11B2TRIM24TRIM33PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763986-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2017-06-07 EP disclosed
US-7078567-B2 Amination process JOHNSTON JEFFREY N 2006-07-18 US disclosed
US-20040082778-A1 Amination process JOHNSTON JEFFREY N (US) 2004-04-29 US disclosed
US-6670479-B2 An sp2 hybridized radical is reacted with an azomethine group to form pyrrolidine and indole compounds ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2003-12-30 US disclosed
WO-2002072547-A1 AMINATION PROCESS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-09-19 WO disclosed
US-20020128490-A1 Amination process ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-09-12 US disclosed
WO-2002070439-A2 AMINATION PROCESS JOHNSTON, JEFFREY, N. 2002-09-12 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 (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-20040082778-A1 Amination process IDO2, INMT, IDO1 TAAR1 984/4885CYP11B1 252/4885CYP11B2 26/4885
US-20020128490-A1 Amination process IDO2, INMT, IDO1 TAAR1 760/4885CYP11B1 117/4885CYP11B2 30/4885

“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.