SCHEMBL5884928

SCHEMBL5884928

O=C(O)C1CCN(CCC(O)COc2cccc3ncccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.55
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
HTR1A P08908 5/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD2 P14416 4/20 0.42
DRD4 P21917 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 2/20 0.41
KDM1A O60341 1/20 0.41
HTR6 P50406 1/20 0.40
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL3265999 1.00 ABCB1 (0.55) ABCB1ADRB2ADRB1ADRB3HTR1A
SCHEMBL3267440 0.90 ABCB1 (0.67) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3267445 0.90 ABCB1 (0.67) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3929703 0.85 ABCB1 (0.63) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3929707 0.85 ABCB1 (0.63) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3269886 0.82 ABCB1 (0.60) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3269883 0.82 ABCB1 (0.60) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3266056 0.82 ABCB1 (0.60) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3266062 0.82 ABCB1 (0.60) ABCB1ADRB2ADRB1ADRB3DRD2
SCHEMBL3266053 0.82 ABCB1 (0.60) ABCB1ADRB2ADRB1ADRB3DRD2

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-7135483-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-11-14 US disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 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-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 ABCB1 2/4885ADRB2 1112/4885ADRB1 990/4885

“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.