SCHEMBL3813060

SCHEMBL3813060

CC(=O)Nc1ccc(F)cc1OC[C@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.81
CCR1 P32246 11/20 0.57
LMNA P02545 1/20 0.49
HRH1 P35367 3/20 0.47
CCR3 P51677 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 2/20 0.45
CACNA1G O43497 1/20 0.43

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
SCHEMBL3813533 1.00 ABCB11 (0.81) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL3813054 1.00 ABCB11 (0.81) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL3809868 0.96 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL3809872 0.96 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL30172129 0.95 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL1950910 0.95 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL1683051 0.95 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL1949177 0.95 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL2016861 0.95 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3
SCHEMBL1950911 0.95 ABCB11 (0.73) ABCB11CCR1LMNAHRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306141-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-6911458-B2 Compounds ASTRA ZENECA (SE) 2005-06-28 US claimed
US-20050090494-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-04-28 US claimed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US claimed
US-20090306141-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-7528156-B2 Compounds ASTRAZENECA AB (SE) 2009-05-05 US disclosed
US-6911458-B2 Compounds ASTRA ZENECA (SE) 2005-06-28 US disclosed
US-20050090494-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-04-28 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-20090306141-A1 Novel Compounds CHRM2, CHRM1, C1R ABCB11 113/4885CCR1 573/4885LMNA 2445/4885
US-20050090494-A1 Novel compounds CHRM2, CHRM1, C1R ABCB11 113/4885CCR1 573/4885LMNA 2445/4885
US-20030162772-A1 Novel compounds RPS4X, RPS4Y1, MRPS18A ABCB11 96/4885CCR1 505/4885LMNA 2034/4885

“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.