SCHEMBL20061880

SCHEMBL20061880

CC(=O)N1CCC(NC(=O)COC(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.51
EPHX2 P34913 12/20 0.50
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATF4 P18848 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL20061878 0.84 LMNA (0.44) SIGMAR1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL13681670 0.84 NPSR1 (0.52) MEN1KMT2ANPSR1ATF4
SCHEMBL22332304 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ANPSR1MAPT
SCHEMBL22332323 0.82 ATF4 (0.43) EPHX1EPHX2MEN1ALDH1A1KMT2A
SCHEMBL19764241 0.82 EPHX1 (0.58) EPHX1EPHX2MEN1ALDH1A1KMT2A
SCHEMBL20061877 0.82 KDM4E (0.45) EPHX1EPHX2MEN1ALDH1A1KMT2A
SCHEMBL20071680 0.81 EPHX1 (0.57) EPHX1EPHX2SIGMAR1MEN1ALDH1A1
SCHEMBL22332321 0.81 NPSR1 (0.41) EPHX2MEN1ALDH1A1KMT2ANPSR1
SCHEMBL12101985 0.80 NPSR1 (0.58) EPHX1MEN1ALDH1A1KMT2ANPSR1
SCHEMBL12708609 0.79 NPSR1 (0.66) EPHX1MEN1ALDH1A1KMT2ANPSR1

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 EPHX1 4135/4885EPHX2 4331/4885SIGMAR1 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.