SCHEMBL2757548

SCHEMBL2757548

CC(=O)N(Cc1ccccc1O[11CH3])c1cnccc1Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSPO P30536 10/20 1.00
OPRK1 P41145 2/20 1.00
ALB P02768 1/20 0.79

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
SCHEMBL2757551 1.00 TSPO (1.00) TSPOOPRK1ALB
SCHEMBL29377466 1.00 TSPO (1.00) TSPOOPRK1ALB
SCHEMBL30106130 0.91 TSPO (0.84) TSPOOPRK1ALB
SCHEMBL18068951 0.89 TSPO (0.83) TSPOOPRK1ALB
SCHEMBL16569003 0.88 TSPO (1.00) TSPOOPRK1ALB
SCHEMBL17689605 0.88 TSPO (0.78) TSPOOPRK1ALB
SCHEMBL29573015 0.88 TSPO (0.78) TSPOOPRK1ALB
SCHEMBL29478041 0.87 TSPO (0.86) TSPOOPRK1ALB
SCHEMBL2757554 0.87 TSPO (0.86) TSPOOPRK1ALB
SCHEMBL14542291 0.87 TSPO (0.77) TSPOOPRK1ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2013-07-18 US disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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 (3 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-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 TSPO 13/4885OPRK1 168/4885ALB 4882/4885
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT GABRA6, GABRA4, GABRA1 TSPO 33/4885OPRK1 48/4885ALB 1890/4885
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GABBR1, GABRA4, CNR1 TSPO 43/4885OPRK1 57/4885ALB 4666/4885

“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.