SCHEMBL6403112

SCHEMBL6403112

COc1cc(NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)nc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.57
CCR3 P51677 10/20 0.51
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41
KCNH2 Q12809 5/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR7 P34969 1/20 0.37
CCR2 P41597 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 1/20 0.37
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL6404026 0.94 CCR3 (0.52) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6395064 0.88 HRH1 (0.61) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6396033 0.82 HRH1 (0.59) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6395690 0.82 HRH1 (0.59) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6398399 0.81 CCR3 (0.56) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL7604161 0.80 HRH1 (0.58) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6398872 0.80 HRH1 (0.59) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL7518021 0.80 HRH1 (0.57) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6397276 0.79 HRH1 (0.56) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6398354 0.79 HRH1 (0.60) HRH1CCR3FPR2PROKR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US claimed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US 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
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 disclosed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 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 (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 HRH1 802/4885CCR3 894/4885FPR2 872/4885

“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.