SCHEMBL4689950

SCHEMBL4689950

COc1cccc(NC[C@@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.48
F2 P00734 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
POLB P06746 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.44

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
SCHEMBL7533927 0.87 TAAR1 (0.51) CRHBPCRHR2RAB9AUSP2TAAR1
SCHEMBL4695907 0.86 F2 (0.47) RAB9AF2KMT2AHIF1A
SCHEMBL4695052 0.83 ALDH1A1 (0.45) RAB9AF2POLBKMT2A
SCHEMBL4214871 0.82 BCHE (0.61) KMT2A
SCHEMBL165644 0.82 BCHE (0.61) KMT2A
SCHEMBL4689485 0.82 CSNK1E (0.50) F2TAAR1
Hydrochloric Acid SCHEMBL6110582 0.81 BCHE (0.60) KMT2A
Hydrochloric Acid SCHEMBL5348922 0.81 BCHE (0.60) KMT2A
SCHEMBL4694678 0.81 MAPT (0.45) RAB9AF2KMT2A
SCHEMBL4694821 0.81 F2 (0.51) RAB9AF2TAAR1POLBMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CRHBP 1445/4885CRHR2 1288/4885RAB9A 2403/4885

“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.