SCHEMBL19938006

SCHEMBL19938006

CC(C)(C)CCc1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.35
AKT2 P31751 1/20 0.33
S1PR1 P21453 4/20 0.32
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SLC6A2 P23975 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL16788779 0.83 ESR1 (0.41) BRS3
SCHEMBL5612851 0.81 NISCH (0.42) AKT2MAPT
SCHEMBL5612800 0.79 RAB9A (0.49) AKT2MAPT
SCHEMBL21274673 0.78 AKT2 (0.46) AKT2SLC6A2
SCHEMBL5613119 0.78 TP53 (0.49) MAPT
SCHEMBL21274654 0.77 TAAR1 (0.49) AKT2MAPT
SCHEMBL9969487 0.77 CYP2D6 (0.42) MAPT
SCHEMBL13078874 0.76 METAP2 (0.32) AKT2
SCHEMBL5329400 0.74 HRH3 (0.48) AKT2
SCHEMBL6167596 0.74 XDH (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 BRS3 1622/4885AKT2 1051/4885S1PR1 1121/4885

“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.