SCHEMBL2899074

SCHEMBL2899074

O=C(O)[C@@H]1C[C@@H](O)CN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.44
BACE1 P56817 2/20 0.43
OGFRL1 Q5TC84 1/20 0.41
NOTUM Q6P988 1/20 0.41
AGTR2 P50052 3/20 0.39
ADRA2B P18089 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A4 P31645 1/20 0.39
CCR1 P32246 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SCN9A Q15858 2/20 0.39
PIK3CD O00329 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 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
SCHEMBL3806529 0.85 DRD4 (0.53) GAAATMBACE1NOTUMADRA2B
SCHEMBL6384434 0.85 GAA (0.43) MEN1KMT2AGAAATMBACE1
SCHEMBL3806525 0.85 DRD4 (0.53) GAAATMBACE1NOTUMADRA2B
SCHEMBL22798860 0.85 GAA (0.43) MEN1KMT2AGAAATMBACE1
SCHEMBL20027946 0.84 FFAR1 (0.44) MEN1KMT2AGAANOTUMAGTR2
SCHEMBL9432301 0.83 NOTUM (0.42) MEN1KMT2AGAAOGFRL1NOTUM
SCHEMBL14367284 0.80 GAA (0.54) MEN1KMT2AGAA
SCHEMBL5653056 0.80 GAA (0.54) MEN1KMT2AGAA
SCHEMBL9251140 0.78 ITGB2 (0.48) GAAOGFRL1SCN9AITGB2ICAM1
SCHEMBL5885697 0.77 BACE1 (0.36) MEN1KMT2AGAAATMBACE1

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
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7326707-B2 Bicyclic melanocortin-specific compounds PALATIN TECHNOLOGIES INCORPORATED (US) 2008-02-05 US disclosed
WO-2005102340-A1 PIPERAZINE MELANOCORTIN-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2005-11-03 WO disclosed
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2005-08-11 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-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders MC3R, MC4R, MC1R MEN1 590/4885KMT2A 562/4885GAA 3346/4885

“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.