SCHEMBL15065007

SCHEMBL15065007

C=CCc1cn(CCCN)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 0.40
CPB1 P15086 6/20 0.40
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10655199 0.77 CPB2 (0.49) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL2051187 0.77 TRHR (0.31)
SCHEMBL7209199 0.71 CPB2 (0.36) CPB2CPB1CYP2C9TSHRCYP2C19
Iodide SCHEMBL7057387 0.69 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL4393509 0.69 ALPL (0.40) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL466537 0.69 QPCT (0.43)
SCHEMBL3202060 0.69 CYP2C9 (0.50) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL14416004 0.69 CPB2 (0.51) CPB2CPB1CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL11092935 0.68 QPCT (0.43) TDP1
Hydrochloric Acid SCHEMBL6491461 0.68 QPCT (0.43) TDP1

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-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT CPB2 4525/4885CPB1 3324/4885CYP2C9 1201/4885

“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.