SCHEMBL2310814

SCHEMBL2310814

NC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.85
ADRA2A P08913 3/20 0.75
DRD4 P21917 3/20 0.75
SLC6A4 P31645 3/20 0.75
HRH2 P25021 2/20 0.75
ADRA1A P35348 2/20 0.75
KCNH2 Q12809 2/20 0.75
SCN5A Q14524 2/20 0.75
MEN1 O00255 2/20 0.75
LMNA P02545 2/20 0.75
ADRB2 P07550 2/20 0.75
OPRD1 P41143 2/20 0.75
OPRK1 P41145 2/20 0.75
HTR2B P41595 2/20 0.75
SLC6A3 Q01959 2/20 0.75
KMT2A Q03164 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
SIGMAR1 Q99720 2/20 0.75
DRD2 P14416 2/20 0.75
OPRL1 P41146 2/20 0.75

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
SCHEMBL14580936 0.92 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2
SCHEMBL12387698 0.89 OPRM1 (0.85) OPRM1ADRA2ADRD4SLC6A4HRH2
SCHEMBL21538258 0.87 OPRM1 (0.82) OPRM1ADRA2ADRD4SLC6A4HRH2
Loperamide SCHEMBL12387663 0.86 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2
SCHEMBL12387673 0.86 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2
Loperamide SCHEMBL28530 0.86 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2
SCHEMBL2313168 0.86 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2
Loperamide SCHEMBL8409779 0.86 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2
SCHEMBL9105318 0.85 OPRM1 (0.87) OPRM1ADRA2ADRD4SLC6A4HRH2
Loperamide SCHEMBL8409268 0.85 OPRM1 (1.00) OPRM1ADRA2ADRD4SLC6A4HRH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989630-B2 Radiotracers for imaging P-glycoprotein function NATIONAL INSTITUTES OF HEALTH REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2011-08-02 US disclosed
US-7989630-B2 Radiotracers for imaging P-glycoprotein function NATIONAL INSTITUTES OF HEALTH REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2011-08-02 US disclosed
US-7989630-B2 Radiotracers for imaging P-glycoprotein function NATIONAL INSTITUTES OF HEALTH REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2011-08-02 US disclosed
US-20090274624-A1 RADIOTRACERS FOR IMAGING P-GLYCOPROTEIN FUNCTION NATIONAL INSTITUTES OF HEALTH REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH 2009-11-05 US disclosed
US-20090274624-A1 RADIOTRACERS FOR IMAGING P-GLYCOPROTEIN FUNCTION NATIONAL INSTITUTES OF HEALTH REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH 2009-11-05 US disclosed
US-20090274624-A1 RADIOTRACERS FOR IMAGING P-GLYCOPROTEIN FUNCTION NATIONAL INSTITUTES OF HEALTH REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH 2009-11-05 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-20090274624-A1 RADIOTRACERS FOR IMAGING P-GLYCOPROTEIN FUNCTION ABCC1, ABCB1, SLC47A2 OPRM1 366/4885ADRA2A 535/4885DRD4 588/4885

“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.