SCHEMBL20061869

SCHEMBL20061869

CC(C)OCCNC(=O)C1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.57
TLR2 O60603 2/20 0.51
DPP7 Q9UHL4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 1/20 0.42
HTR2C P28335 5/20 0.41
HTR2B P41595 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TERT O14746 1/20 0.40
HTR2A P28223 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL13306352 0.87 PRCP (0.57) PRCPTLR2TSHRALDH1A1HSD17B10
SCHEMBL17937228 0.83 PRCP (0.61) PRCPTLR2DPP7KDM4EHTR2C
SCHEMBL15329272 0.81 PRCP (0.70) PRCPTLR2DPP7KDM4EHTR2C
SCHEMBL7274579 0.80 PRCP (0.61) PRCPTLR2DPP7KDM4EHTR2C
SCHEMBL7309284 0.80 PRCP (0.61) PRCPTLR2DPP7KDM4EHTR2C
Hydrochloric Acid SCHEMBL25328303 0.79 PRCP (0.56) PRCPTLR2DPP7KDM4EHTR2C
SCHEMBL13708495 0.79 PRCP (0.56) PRCPTLR2KDM4EEPHX2HTR2C
SCHEMBL2794195 0.78 PRCP (0.77) PRCPTLR2DPP7KDM4EHTR2C
SCHEMBL3289136 0.78 PRCP (0.77) PRCPTLR2DPP7KDM4EHTR2C
SCHEMBL14356206 0.78 PRCP (0.67) PRCPTLR2DPP7KDM4EHTR2C

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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
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 PRCP 1416/4885TLR2 1702/4885DPP7 2552/4885

“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.