SCHEMBL6500245

SCHEMBL6500245

CN(C)CC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.73
POLB P06746 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL6530308 0.93 SIGMAR1 (0.64) SIGMAR1POLBL3MBTL1
SCHEMBL7268908 0.85 SIGMAR1 (0.79) SIGMAR1POLBL3MBTL1
SCHEMBL5862113 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL19086863 0.84 SIGMAR1 (0.68) SIGMAR1POLB
SCHEMBL6750438 0.84 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
Hydrochloric Acid SCHEMBL29640479 0.84 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
SCHEMBL9705744 0.84 SIGMAR1 (0.68) SIGMAR1POLBL3MBTL1
SCHEMBL3075354 0.83 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL5124505 0.83 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL29640480 0.83 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1

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-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 SIGMAR1 339/4885POLB 3610/4885L3MBTL1 971/4885

“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.