SCHEMBL7107729

SCHEMBL7107729

CC(C)CC(NN(C=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
KCNA5 P22460 3/20 0.34
TSHR P16473 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CHRM2 P08172 5/20 0.33
CHRM4 P08173 5/20 0.33
CHRM5 P08912 5/20 0.33
CHRM1 P11229 5/20 0.33
CHRM3 P20309 5/20 0.33
HRH1 P35367 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
MMP1 P03956 3/20 0.33

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
SCHEMBL7061210 0.69 SMN1; SMN2 (0.42) CHRM2SMN1; SMN2MEN1GAAKMT2A
SCHEMBL5754895 0.68 HRH3 (0.48) CYP2C19CNR1MEN1KMT2AALDH1A1
SCHEMBL7110560 0.67 LMNA (0.35) KCNA5SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL23689568 0.63 TSHR (0.48) CYP2C19KCNA5TSHRCHRM2CHRM4
SCHEMBL10203032 0.63 TSHR (0.48) CYP2C19KCNA5TSHRCHRM2CHRM4
SCHEMBL7451904 0.62 KCNA5 (0.46) CYP2C19KCNA5TSHRCHRM2SMN1; SMN2
SCHEMBL7595164 0.62 TSHR (0.49) CYP2C19KCNA5TSHRCHRM2CHRM4
SCHEMBL21742093 0.61 KCNA5 (0.45) KCNA5TSHRCHRM2SMN1; SMN2MEN1
SCHEMBL5373022 0.61 ADH1B (0.42) SMN1; SMN2MEN1GAAKMT2ACYP3A4
SCHEMBL29770925 0.61 ALDH1A1 (0.42) CYP2C19TSHRSMN1; SMN2MEN1KMT2A

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
US-20030153571-A1 Method and composition for the treatment of pain ASTRAZENECA AB (SE) 2003-08-14 US disclosed
EP-1244453-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047524-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO 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-20030153571-A1 Method and composition for the treatment of pain OPRK1, ACHE, OPRL1 CYP2C19 1763/4885KCNA5 2557/4885TSHR 3256/4885

“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.