SCHEMBL13801258

SCHEMBL13801258

O=CN1CCC(n2c(=O)[nH]c3cccnc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.53
TNKS2 Q9H2K2 1/20 0.53
CHRM1 P11229 7/20 0.53
DRD2 P14416 4/20 0.53
KCNH2 Q12809 3/20 0.53
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
DAO P14920 1/20 0.48
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM3 P20309 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
PLD1 Q13393 2/20 0.43
CALCRL Q16602 1/20 0.42
PLD2 O14939 1/20 0.42

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
SCHEMBL16695655 0.87 TNKS (0.61) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL23952710 0.85 TNKS (0.56) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL13351355 0.84 TNKS (0.53) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL11556952 0.83 CHRM1 (0.56) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL30006754 0.82 TNKS (0.54) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL2604347 0.82 TNKS (0.54) TNKSTNKS2CHRM1DRD2KCNH2
Hydrochloric Acid SCHEMBL16876753 0.81 TNKS (0.53) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL16444645 0.81 TNKS (0.55) TNKSTNKS2CHRM1DRD2KCNH2
Hydrochloric Acid SCHEMBL31285994 0.81 TNKS (0.53) TNKSTNKS2CHRM1DRD2KCNH2
SCHEMBL16456357 0.81 TNKS (0.58) TNKSTNKS2CHRM1DRD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS TNKS 3256/4885TNKS2 4218/4885CHRM1 2/4885

“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.