SCHEMBL6745454

SCHEMBL6745454

O=[N+]([O-])c1cc(C(O)CBr)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.49
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL6745105 1.00 VCAM1 (0.49) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL241620 0.87 GRM8 (0.53) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL237370 0.87 GRM8 (0.53) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL12727085 0.87 GRM8 (0.53) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL1987819 0.87 GRM8 (0.53) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL6743654 0.86 VCAM1 (0.50) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL6743195 0.86 VCAM1 (0.50) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL27819517 0.84 GRM8 (0.51) VCAM1GRM8GRM6GRM4MEN1
SCHEMBL6741460 0.83 ALDH1A1 (0.45) GRM8GRM6GRM4MEN1KMT2A
SCHEMBL6746791 0.83 ALDH1A1 (0.45) GRM8GRM6GRM4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2019-04-25 US disclosed
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2019-04-25 US disclosed
WO-2019053428-A1 BETA-HYDROXYETHYLAMINES FOR USE IN THE TREATMENT OR PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASES ATROGI AB (SE) 2019-03-21 WO disclosed
WO-2019053428-A1 BETA-HYDROXYETHYLAMINES FOR USE IN THE TREATMENT OR PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASES ATROGI AB (SE) 2019-03-21 WO disclosed
EP-3426239-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2019-01-16 EP disclosed
WO-2017153737-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2017-09-14 WO disclosed
WO-2017153737-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2017-09-14 WO disclosed
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
CN-1377342-A Process for preparation of tricyclic amino alcohol derivatives ASAHI CHEMICAL IND (JP) 2002-10-30 CN disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 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 (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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 VCAM1 1771/4885GRM8 4423/4885GRM6 4630/4885
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA SLC5A2, SLC5A1, SLC2A2 VCAM1 4249/4885GRM8 3019/4885GRM6 1878/4885

“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.