SCHEMBL3053294

SCHEMBL3053294

CC(O)c1ccccc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.69
CCR1 P32246 1/20 0.59
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 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
SCHEMBL3140521 0.89 ABCB11 (0.70) ABCB11CCR1MEN1KMT2ABCHE
Trifluoroacetic Acid SCHEMBL3142036 0.86 ABCB11 (0.65) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3150386 0.83 ABCB11 (0.69) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL1682973 0.83 ABCB11 (0.69) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL30172191 0.83 ABCB11 (0.69) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL1682982 0.83 ABCB11 (0.72) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3810728 0.82 ABCB11 (1.00) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3807493 0.82 ABCB11 (1.00) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3135724 0.82 ABCB11 (0.72) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3135586 0.82 ABCB11 (0.67) ABCB11CCR1MEN1KMT2ABCHE

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-20100144606-A1 COMBINATION 408 ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone ASTRAZENECA AB (SE) 2010-02-04 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 (2 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-20100144606-A1 COMBINATION 408 NR3C2, PTGER2, LTB4R2 ABCB11 1536/4885CCR1 24/4885MEN1 4845/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 ABCB11 1971/4885CCR1 103/4885MEN1 4742/4885

“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.