SCHEMBL9957355

SCHEMBL9957355

Cc1n[nH]c(C(=O)O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.36
DAO P14920 1/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR35 Q9HC97 2/20 0.33
PDE4D Q08499 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
P2RX7 Q99572 1/20 0.31
DYRK1A Q13627 1/20 0.31
RAB9A P51151 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTK2 Q05397 1/20 0.30
HTT P42858 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL15724363 0.83 CYP1A2 (0.33) LMNAPDE4DL3MBTL1ALDH1A1P2RX7
SCHEMBL23294471 0.78 KDM4C (0.50) LMNAMEN1KMT2APDE4DL3MBTL1
SCHEMBL15824828 0.77 DYRK1A (0.44) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL30107036 0.76 HCAR2 (0.42) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL15230490 0.75 PDE4D (0.56) MEN1KMT2APDE4DALDH1A1HPGD
SCHEMBL31469596 0.74 HCAR2 (0.37) HCAR2DAOMEN1KMT2AGPR35
SCHEMBL3949817 0.74 HCAR2 (0.48) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL14879418 0.74 HCAR2 (0.48) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL17479406 0.74 HCAR2 (0.40) HCAR2LMNAMEN1KMT2ARAB9A
SCHEMBL19635846 0.71 HCAR2 (0.36) HCAR2GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157938-B1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECH PTY LTD (AU) 2022-03-16 EP disclosed
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-10768176-B2 Hetero functional binding systems ANTEO TECHNOLOGIES PTY LTD (AU) 2020-09-08 US disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10106523-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2018-10-23 US disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3124480-B1 AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2018-07-11 EP disclosed
US-20180030030-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-02-01 US disclosed
US-20180030030-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-02-01 US disclosed
EP-3186224-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
US-20170115285-A1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECHNOLOGIES PTY LTD (AU) 2017-04-27 US disclosed
EP-3157938-A1 HETERO FUNCTIONAL BINDING SYSTEMS Anteo Technologies Pty Ltd. (AU) 2017-04-26 EP disclosed
EP-3124480-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2017-02-01 EP disclosed
EP-3124480-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2017-02-01 EP disclosed
WO-2016030310-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
WO-2015192183-A1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECHNOLOGIES PTY LTD (AU) 2015-12-23 WO disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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 (4 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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 HCAR2 593/4885DAO 995/4885LMNA 1686/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 HCAR2 593/4885DAO 995/4885LMNA 1686/4885
US-10106523-B2 Amide compound REN, GLS, ATP6V1B1 HCAR2 446/4885DAO 1093/4885LMNA 3607/4885
US-20180030030-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 HCAR2 84/4885DAO 2733/4885LMNA 3951/4885

“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.