SCHEMBL5226780

SCHEMBL5226780

CCc1nn(CCN2CCC(C(C)=O)CC2)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
SIGMAR1 Q99720 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CACNA1I Q9P0X4 3/20 0.32
NOTUM Q6P988 1/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31

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
SCHEMBL509254 0.83 NPC1 (0.36) KCNH2SIGMAR1ALDH1A1KDM4E
SCHEMBL509302 0.78 PTGDR2 (0.38) KCNH2PTGDR2MAPTALDH1A1
SCHEMBL509176 0.77 KCNH2 (0.39) KCNH2PTGDR2MAPT
SCHEMBL508683 0.76 PTGDR2 (0.46) KCNH2PTGDR2MAPT
SCHEMBL509197 0.76 KCNH2 (0.37) KCNH2PTGDR2MAPTALDH1A1
SCHEMBL14540413 0.75 ADORA2A (0.33) KCNH2SIGMAR1PTGDR2ALDH1A1KDM4E
SCHEMBL508289 0.75 PTGDR2 (0.41) KCNH2PTGDR2MAPTALDH1A1
SCHEMBL5226744 0.75 MAPT (0.37) KCNH2PTGDR2MAPTALDH1A1
SCHEMBL10250143 0.74 PTGDR2 (0.40) KCNH2PTGDR2MAPTALDH1A1GAA
SCHEMBL508284 0.74 LMNA (0.36) SIGMAR1PTGDR2MAPTALDH1A1

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 5 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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 KCNH2 3503/4885SIGMAR1 3225/4885PTGDR2 3728/4885

“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.