SCHEMBL535214

SCHEMBL535214

NCCc1cc(F)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.52
HTR2A P28223 3/20 0.47
MPO P05164 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
KMT2A Q03164 3/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.43
DPP4 P27487 1/20 0.41
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.39
RAD52 P43351 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAPDH P04406 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30814757 1.00 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
Hydrochloric Acid SCHEMBL18524413 0.98 TAAR1 (0.50) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL32684199 0.83 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL533937 0.83 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL29556458 0.83 MPO (0.44) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL558725 0.83 MPO (0.44) TAAR1HTR2AMPOTRPM8KMT2A
Hydrochloric Acid SCHEMBL27809219 0.82 TAAR1 (0.50) TAAR1HTR2AMPOTRPM8KMT2A
Hydrochloric Acid SCHEMBL14157220 0.81 MPO (0.43) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL19602322 0.81 DPP4 (0.35) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL441642 0.80 TAAR1 (0.54) TAAR1HTR2AMPOTRPM8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109842-A1 ACRYLAMIDE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-04 US disclosed
EP-4073038-A1 ACRYLAMIDE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2022-10-19 EP disclosed
CN-114667280-A Acrylamide compound 大塚制药株式会社 2022-06-24 CN disclosed
WO-2021117733-A1 ACRYLAMIDE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 WO disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 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 (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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 TAAR1 401/4885HTR2A 265/4885MPO 2462/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TAAR1 1781/4885HTR2A 3006/4885MPO 829/4885
US-20240109842-A1 ACRYLAMIDE COMPOUNDS HPGDS, MYADM, ACR TAAR1 1656/4885HTR2A 750/4885MPO 538/4885

“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.