SCHEMBL13070779

SCHEMBL13070779

CCC(C)(N)Cc1cn(Cc2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.61
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
HSP90AB1 P08238 2/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
AMY1A P0DUB6 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
SCHEMBL18160688 1.00 CYP19A1 (0.61) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL12205813 0.84 CYP19A1 (0.65) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL15014123 0.79 CYP19A1 (0.76) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL13780823 0.78 CYP19A1 (0.54) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL13780523 0.76 ALDH1A1 (0.58) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL2641384 0.76 CYP19A1 (1.00) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL28923930 0.76 CYP19A1 (0.58) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL936700 0.76 CYP19A1 (0.66) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL936304 0.75 CYP19A1 (0.57) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL28928582 0.75 CYP19A1 (0.53) CYP19A1NPC1RAB9AHRH4HSP90AB1

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-8568706-B2 Modified human interferon-beta polypeptides ALLOZYNE, INC. (US) 2013-10-29 US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-7829659-B2 Methods of modifying polypeptides comprising non-natural amino acids ALLOZYNE, INC. (US) 2010-11-09 US disclosed
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-08-21 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-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS CYP19A1 3595/4885NPC1 3938/4885RAB9A 3608/4885

“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.