SCHEMBL15070828

SCHEMBL15070828

CC(C)c1cc2c(nn1)OCCC2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.31
GRM1 Q13255 2/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11926941 0.77 ACHE (0.33) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16171215 0.75 GRM1 (0.32) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL20710542 0.73 PTGS1 (0.31)
SCHEMBL17248119 0.72 OGA (0.41) HTR2CGRM1TP53CYP3A4MAPK1
SCHEMBL15070829 0.71 SYK (0.36) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19131876 0.71 CTNNB1 (0.35) HTR2C
SCHEMBL24803725 0.71 HTR2C (0.43) HTR2C
SCHEMBL18237839 0.71 HTR2C (0.43) HTR2CSMN1; SMN2
SCHEMBL25803302 0.70 NOS3 (0.33)
SCHEMBL25060986 0.69 HTR2C (0.42) HTR2CSMN1; SMN2

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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B HTR2C 1985/4885GRM1 1837/4885TP53 3057/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 HTR2C 820/4885GRM1 1791/4885TP53 2932/4885

“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.