SCHEMBL6401228

SCHEMBL6401228

Nc1ncc(CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.47
CCR3 P51677 14/20 0.47
KDM4E B2RXH2 1/20 0.43
ROCK1 Q13464 1/20 0.42
KCNH2 Q12809 7/20 0.41
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
DHFR P00374 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
SCHEMBL6397887 0.77 HRH1 (0.46) HRH1CCR3KDM4EKCNH2FPR2
Ammonia Solution, Strong SCHEMBL6398869 0.76 HRH1 (0.45) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL5369447 0.76 HRH1 (0.56) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL5102799 0.74 HRH1 (0.59) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL6402580 0.73 HRH1 (0.48) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL27550980 0.73 HRH1 (0.46) HRH1CCR3KDM4EROCK1KCNH2
SCHEMBL5367457 0.71 HRH1 (0.52) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL7600260 0.71 HRH1 (0.48) HRH1CCR3KDM4EKCNH2FPR2
SCHEMBL5194926 0.70 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL14715736 0.70 HRH1 (0.50) HRH1CCR3KDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 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

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 894/4885KDM4E 914/4885

“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.