SCHEMBL12449602

SCHEMBL12449602

CC(C)(C)c1ccc(C2(CN3CCOCC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.41
RAB9A P51151 4/20 0.40
KCNH2 Q12809 1/20 0.40
F10 P00742 4/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL12386 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL17080540 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KMT2AHSD11B1
SCHEMBL10640 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HSD11B1F10
SCHEMBL8353945 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8351474 0.77 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL12449801 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HSD11B1F10
SCHEMBL27873268 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL25530993 0.76 SIGMAR1 (0.48) SIGMAR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL25541641 0.75 KDM4E (0.38) SIGMAR1SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL3273890 0.75 SLC6A2 (0.52) SIGMAR1SLC6A2SLC6A4SLC6A3MEN1

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-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA SIGMAR1 3225/4885SLC6A2 4149/4885SLC6A4 3393/4885

“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.