SCHEMBL2366907

SCHEMBL2366907

Cc1cc(Br)cnc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
HTR2C P28335 1/20 0.43
ADRB1 P08588 1/20 0.42

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
SCHEMBL899695 0.84 HRH4 (0.49) HRH4HTTCHRNB2CHRNA4HTR2C
Tert-Butyl Formate SCHEMBL27875874 0.84 HTT (0.39) HRH4HTTMEN1CYP1A2CYP3A4
SCHEMBL30593370 0.83 HRH4 (0.48) HRH4HTTMEN1CYP1A2CYP3A4
SCHEMBL2366129 0.82 TAAR1 (0.47) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL907486 0.82 KIT (0.41) HRH4
SCHEMBL907485 0.82 KIT (0.41) HRH4
SCHEMBL898877 0.81 CHRNB2 (0.50) HRH4HTTCHRNB2CHRNA4
SCHEMBL1707795 0.81 ALDH1A1 (0.44) MEN1CYP1A2TSHRKMT2A
SCHEMBL14335373 0.81 HRH4 (0.47) HRH4HTTCHRNB2CHRNA4HTR2C
Hydrochloric Acid SCHEMBL2366927 0.81 TAAR1 (0.46) MEN1CYP1A2CYP3A4CYP2D6TSHR

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 15 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
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP disclosed
CN-102971291-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2013-03-13 CN disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 US disclosed
CN-102239152-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2011-11-09 CN disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 EP 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 (3 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 HRH4 24/4885HTT 543/4885MEN1 23/4885
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 HRH4 1284/4885HTT 2316/4885MEN1 2998/4885
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 HRH4 1014/4885HTT 1580/4885MEN1 2896/4885

“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.