SCHEMBL2170336

SCHEMBL2170336

COCCOCC(=O)N(c1cn[nH]c1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.36
BUB1 O43683 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2170751 0.82 OPRM1 (0.38) PTGIRTRPM8GAASMN1; SMN2OPRM1
SCHEMBL2170892 0.78 HTT (0.39) PTGIRTRPM8SMN1; SMN2ROCK2HTT
SCHEMBL2169266 0.77 HTT (0.41) PTGIRTRPM8GAASMN1; SMN2LMNA
SCHEMBL7981765 0.74 PTGIR (0.49) PTGIRTRPM8GAASMN1; SMN2OPRM1
SCHEMBL2169727 0.73 TSHR (0.47) PTGIRTRPM8SMN1; SMN2LMNAHTT
SCHEMBL2169550 0.70 PTGIR (0.41) PTGIRTRPM8GAASMN1; SMN2ROCK2
SCHEMBL2171361 0.69 ALDH1A1 (0.40) GAAROCK2ROCK1POLB
SCHEMBL2169501 0.68 POLB (0.36) SMN1; SMN2LMNAHTTNPSR1POLB
SCHEMBL30063394 0.68 L3MBTL1 (0.47) SMN1; SMN2LMNAOPRM1KDM4ECYP1A2
SCHEMBL2169291 0.68 TRPM8 (0.37) TRPM8ROCK2LMNAKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 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-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN PTGIR 3056/4885BUB1 1452/4885TRPM8 3578/4885

“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.