SCHEMBL3814775

SCHEMBL3814775

CC(=O)Nc1ccccc1OCC(C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 1.00
CCR1 P32246 1/20 0.80
MEN1 O00255 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
CCR5 P51681 1/20 0.42
MCHR1 Q99705 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TEAD1 P28347 1/20 0.41
DRD4 P21917 2/20 0.41
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 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
SCHEMBL3807493 1.00 ABCB11 (1.00) ABCB11CCR1MEN1BCHEACHE
SCHEMBL3810728 1.00 ABCB11 (1.00) ABCB11CCR1MEN1BCHEACHE
SCHEMBL3805756 0.93 ABCB11 (0.87) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3805912 0.92 ABCB11 (0.85) ABCB11CCR1MEN1BCHEACHE
SCHEMBL3807399 0.91 ABCB11 (0.84) ABCB11CCR1MEN1KMT2ASIGMAR1
SCHEMBL3813555 0.91 ABCB11 (0.83) ABCB11CCR1MEN1KMT2ASIGMAR1
SCHEMBL3809463 0.91 ABCB11 (0.82) ABCB11CCR1MEN1BCHEACHE
SCHEMBL3807474 0.90 CCR1 (0.83) ABCB11CCR1MEN1KMT2ASIGMAR1
SCHEMBL1682975 0.90 CCR1 (0.83) ABCB11CCR1MEN1KMT2ASIGMAR1
SCHEMBL30172144 0.90 CCR1 (0.83) ABCB11CCR1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306141-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-12-10 US claimed
JP-4022142-B2 2007-12-12 JP claimed
CN-1307157-C Novel compounds ASTRAZENECA AB (SE) 2007-03-28 CN 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
JP-2004507461-A 2004-03-11 JP claimed
CN-1476434-A Novel compounds 2004-02-18 CN claimed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US claimed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP claimed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO 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
CN-1307157-C Novel compounds ASTRAZENECA AB (SE) 2007-03-28 CN 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
CN-1476434-A Novel compounds 2004-02-18 CN disclosed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US disclosed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO 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 573/4885MEN1 61/4885
US-20050090494-A1 Novel compounds CHRM2, CHRM1, C1R ABCB11 113/4885CCR1 573/4885MEN1 61/4885
US-20030162772-A1 Novel compounds RPS4X, RPS4Y1, MRPS18A ABCB11 96/4885CCR1 505/4885MEN1 228/4885

“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.