SCHEMBL6214979

SCHEMBL6214979

CC(=O)Nc1cc(-c2ccccc2)ccc1OCC(O)CN1CCc2[nH]c3ccc(Cl)cc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BAZ2B Q9UIF8 2/20 0.45
PRMT5 O14744 6/20 0.44
WDR77 Q9BQA1 6/20 0.44
KCNH2 Q12809 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL6217739 0.92 BAZ2B (0.51) CCR1MEN1GAAMAPTALOX15
SCHEMBL6215226 0.91 ALDH1A1 (0.49) CCR1MEN1GAAMAPTALOX15
SCHEMBL6217113 0.91 MEN1 (0.58) CCR1MEN1GAAMAPTALOX15
SCHEMBL6212588 0.89 HDAC1 (0.49) CCR1MEN1GAAMAPTALOX15
SCHEMBL6211345 0.89 CCR1 (0.52) CCR1MEN1GAAMAPTALOX15
SCHEMBL6218306 0.87 CCR1 (0.52) CCR1MEN1GAAMAPTALOX15
SCHEMBL6218103 0.85 NPSR1 (0.49) CCR1MEN1GAAMAPTALOX15
SCHEMBL6213814 0.84 CCR1 (0.58) CCR1MEN1GAAMAPTALOX15
SCHEMBL6215974 0.83 HDAC1 (0.51) CCR1MEN1MAPTALOX15KMT2A
SCHEMBL6215795 0.82 MEN1 (0.58) CCR1MEN1GAAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US claimed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US claimed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X CCR1 867/4885MEN1 1294/4885GAA 579/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 CCR1 747/4885MEN1 1120/4885GAA 584/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 CCR1 1236/4885MEN1 1455/4885GAA 624/4885

“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.