SCHEMBL9906132

SCHEMBL9906132

CC(C)(C)C(=O)OCN1CCN(C(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ENO1 P06733 1/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL8440453 0.83 ALDH1A1 (0.41) PRKCAPOLBGAANPSR1ENO1
SCHEMBL12989425 0.78 SIGMAR1 (0.42) PRKCAPOLBGAANPSR1ENO1
SCHEMBL12422447 0.78 SMN1; SMN2 (0.44) POLBNPSR1
SCHEMBL7989600 0.73 ENO1 (0.34) PRKCAENO1
SCHEMBL7985517 0.73 ENO1 (0.34) PRKCAENO1
SCHEMBL12062146 0.71 CHRM3 (0.38) PRKCAPOLBGAANPSR1ENO1
SCHEMBL10102885 0.71 ALDH1A1 (0.47) POLBNPC1
SCHEMBL20161015 0.70
SCHEMBL12312757 0.69 MAPK1 (0.40) POLBGAA
SCHEMBL24836106 0.68 HSD17B10 (0.47)

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-8198304-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-12 US disclosed
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-29 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-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 PRKCA 1090/4885POLB 3958/4885GAA 1568/4885

“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.