SCHEMBL2602804

SCHEMBL2602804

C[C@@H](NCCC(O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
SLC6A4 P31645 3/20 0.58
CYP3A4 P08684 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
SMPD1 P17405 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
CASR P41180 1/20 0.58
HTR2B P41595 1/20 0.58
KCNH2 Q12809 1/20 0.58
CYP1A2 P05177 1/20 0.58

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
SCHEMBL28835654 1.00 LMNA (0.58) LMNASLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL1464023 0.93 LMNA (0.53) LMNASLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL9662448 0.86 LMNA (0.80) LMNASLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL5468813 0.85 LMNA (0.61) LMNASLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL5468817 0.85 LMNA (0.61) LMNASLC6A4CYP3A4SLC6A2SLC6A3
SCHEMBL82473 0.84 APAF1 (0.53) LMNASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL2295948 0.84 APAF1 (0.53) LMNASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL2293870 0.84 APAF1 (0.53) LMNASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL82474 0.84 APAF1 (0.53) LMNASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL2296647 0.84 APAF1 (0.53) LMNASLC6A4SLC6A2SLC6A3ALDH1A1

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
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US 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-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 LMNA 4551/4885SLC6A4 2087/4885CYP3A4 3616/4885

“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.