SCHEMBL5229824

SCHEMBL5229824

CCc1nn(CCN(C)C)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KCNH2 Q12809 1/20 0.36
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL509302 0.85 PTGDR2 (0.38) MAPTKCNH2PTGDR2
SCHEMBL509197 0.85 KCNH2 (0.37) MAPTKCNH2PTGDR2
SCHEMBL509176 0.84 KCNH2 (0.39) MAPTKCNH2PTGDR2
SCHEMBL5227544 0.82 MAPT (0.36) MAPTKCNH2PTGDR2
SCHEMBL5226712 0.81 KCNH2 (0.38) MAPTKCNH2PTGDR2
SCHEMBL5224587 0.80 KCNH2 (0.40) MAPTKCNH2PTGDR2
SCHEMBL5225264 0.80 KCNH2 (0.36) MAPTKCNH2PTGDR2
SCHEMBL5227058 0.80 MAPT (0.34) MAPTKCNH2PTGDR2
SCHEMBL508166 0.80 KCNH2 (0.44) MAPTKCNH2PTGDR2
SCHEMBL509254 0.79 NPC1 (0.36) KCNH2

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885KCNH2 3503/4885ADRA1A 2104/4885

“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.