SCHEMBL20061878

SCHEMBL20061878

CC(C)OCC(=O)NC1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ACKR3 P25106 1/20 0.40
KMT2A Q03164 3/20 0.40
SSTR4 P31391 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
HTR2A P28223 1/20 0.37

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
SCHEMBL21730478 0.86 LMNA (0.42) LMNANPSR1SIGMAR1ALDH1A1ACKR3
SCHEMBL13681670 0.86 NPSR1 (0.52) LMNANPSR1KMT2AMEN1
SCHEMBL22332304 0.86 ALDH1A1 (0.46) NPSR1ALDH1A1ACKR3KMT2A
SCHEMBL20061880 0.84 EPHX1 (0.51) NPSR1SIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL20061877 0.84 KDM4E (0.45) LMNANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL22332321 0.83 NPSR1 (0.41) LMNANPSR1ALDH1A1KMT2AMEN1
SCHEMBL12101985 0.83 NPSR1 (0.58) NPSR1ALDH1A1KMT2AMEN1
SCHEMBL15337701 0.81 NPSR1 (0.66) LMNANPSR1SIGMAR1ALDH1A1ACKR3
SCHEMBL12708609 0.81 NPSR1 (0.66) NPSR1ALDH1A1KMT2AMEN1
SCHEMBL21730479 0.81 L3MBTL1 (0.44) LMNANPSR1SIGMAR1ALDH1A1ACKR3

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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X LMNA 284/4885NPSR1 1062/4885SIGMAR1 740/4885

“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.