SCHEMBL6212840

SCHEMBL6212840

CC(=O)Nc1cc(Cl)ccc1OCC(O)CN1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.60
CACNA1G O43497 3/20 0.58
KCNH2 Q12809 2/20 0.58
CCR1 P32246 5/20 0.57
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ABCB1 P08183 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL6213436 0.93 CACNA1G (0.56) ABCB11CACNA1GKCNH2CCR1LMNA
SCHEMBL3810709 0.85 ABCB11 (0.83) ABCB11CCR1LMNAALDH1A1MAPT
SCHEMBL6213878 0.84 ABCB11 (0.54) ABCB11CCR1LMNASMN1; SMN2ALDH1A1
SCHEMBL6213219 0.84 CCR1 (0.56) ABCB11KCNH2CCR1LMNASMN1; SMN2
SCHEMBL6213259 0.82 ABCB11 (0.61) ABCB11CACNA1GKCNH2CCR1TSHR
SCHEMBL6212900 0.82 ABCB11 (0.50) ABCB11CCR1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6213971 0.82 ABCB11 (0.60) ABCB11CACNA1GKCNH2CCR1ALDH1A1
SCHEMBL6211852 0.81 CCR1 (0.56) ABCB11KCNH2CCR1LMNASMN1; SMN2
SCHEMBL6211026 0.80 CCR1 (0.51) ABCB11KCNH2CCR1LMNASMN1; SMN2
SCHEMBL6215038 0.80 CCR1 (0.51) ABCB11KCNH2CCR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP claimed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US claimed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062728-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-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-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 ABCB11 112/4885CACNA1G 4148/4885KCNH2 1648/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 ABCB11 90/4885CACNA1G 3979/4885KCNH2 1753/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 ABCB11 157/4885CACNA1G 4236/4885KCNH2 1469/4885

“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.