SCHEMBL15315439

SCHEMBL15315439

CC(C)(C)CN[C@H]1CCC[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CD274 Q9NZQ7 3/20 0.32
PDCD1 Q15116 2/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
TRPV3 Q8NET8 7/20 0.31
LTA4H P09960 2/20 0.31
MGAM O43451 2/20 0.30
SI P14410 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL15315437 0.96 HTR1A (0.39) HTR1ASLC6A4SLC6A3TRPV3LTA4H
SCHEMBL15114207 0.80 TRPV3 (0.38) HTR1ASLC6A4SLC6A3TRPV3LTA4H
SCHEMBL16978964 0.80 SMN1; SMN2 (0.34)
SCHEMBL16748087 0.76
SCHEMBL8441951 0.76
SCHEMBL19903778 0.76
SCHEMBL15317987 0.76
SCHEMBL20351139 0.76
SCHEMBL15315436 0.75 ANPEP (0.39) CA1CA2
SCHEMBL15114205 0.74 TRPV3 (0.35) HTR1ATRPV3LTA4H

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-8871778-B2 Substituted pyrimidine compounds and their use as SYK inhibitors GENOSCO (US) 2014-10-28 US disclosed
US-20130274242-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS Genosco Inc. 2013-10-17 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-20130274242-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS SYK, BTK, LCK HTR1A 3338/4885SLC6A4 4527/4885SLC6A3 4712/4885

“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.