SCHEMBL6402004

SCHEMBL6402004

COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.82
DRD4 P21917 14/20 0.71
DRD2 P14416 6/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 1/20 0.71
PMP22 Q01453 1/20 0.71
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
SLC5A7 Q9GZV3 1/20 0.62

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
Hydrochloric Acid SCHEMBL6397461 0.99 CCR3 (0.81) CCR3DRD4DRD2CYP1A2CYP3A4
SCHEMBL5658825 0.90 CCR3 (1.00) CCR3DRD4DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6399917 0.90 CCR3 (0.98) CCR3DRD4DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6403181 0.86 DRD4 (0.72) CCR3DRD4DRD2CYP1A2CYP3A4
SCHEMBL1322020 0.83 DRD4 (1.00) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL6397066 0.81 CCR3 (0.81) CCR3DRD4MAPTSLC5A7
SCHEMBL27550778 0.81 CCR3 (0.83) CCR3DRD4DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5659060 0.81 CCR3 (0.82) CCR3DRD4DRD2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6397246 0.81 CCR3 (0.82) CCR3DRD4DRD2SLC5A7
Hydrochloric Acid SCHEMBL6397090 0.80 CCR3 (0.79) CCR3DRD4SLC5A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US claimed
US-6518286-B1 Piperidinyl compounds for modulation of immune and inflammatory responses in various diseases and disorders, including asthma ASTRAZENECA AB (SE) 2003-02-11 US claimed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 CN claimed
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US disclosed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 CN 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 (1 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-20030134840-A1 Novel compounds RPS4X, RPS4Y1, CYP4B1 CCR3 894/4885DRD4 162/4885DRD2 450/4885

“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.