SCHEMBL1730281

SCHEMBL1730281

CC(C)(C)OC(=O)N1CCN(CCO)CC1.CC(C)(C)OC(=O)N1CCN(CCOCCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ACKR3 P25106 3/20 0.41
TLR8 Q9NR97 1/20 0.40
EPHX2 P34913 5/20 0.40
HTR1A P08908 1/20 0.40
GPR4 P46093 1/20 0.39
NAMPT P43490 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL5560225 0.97 SMN1; SMN2 (0.45) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL25905171 0.96 SMN1; SMN2 (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL15435945 0.96 SMN1; SMN2 (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL39756 0.89 USP2 (0.51) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL23251655 0.87 USP2 (0.46) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL27097884 0.86 EPHX2 (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL25678453 0.85 HPGD (0.49) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL15352136 0.84 USP2 (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL22123127 0.84 USP2 (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL22262696 0.84 USP2 (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569937-B1 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
US-7148220-B2 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-12 US disclosed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 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-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR SMN1; SMN2 4567/4885USP2 4320/4885CHRM2 1737/4885

“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.