SCHEMBL509060

SCHEMBL509060

CCc1nn(CCNC(=O)O)c(CN2CCN(C(C)=O)CC2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
THRB P10828 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC2A2 P11168 4/20 0.33
SLC2A1 P11166 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL508284 0.87 LMNA (0.36) FAAHTHRBMAPTALDH1A1PTGDR2
SCHEMBL5226341 0.83 FAAH (0.33) FAAHTHRBMAPTALDH1A1PTGDR2
SCHEMBL509867 0.83 MAPT (0.40) MAPTALDH1A1PTGDR2LMNASMN1; SMN2
SCHEMBL508715 0.82 MAPT (0.40) MAPTALDH1A1PTGDR2LMNASMN1; SMN2
SCHEMBL508080 0.82 MAPT (0.40) MAPTALDH1A1PTGDR2LMNASMN1; SMN2
SCHEMBL509601 0.81 MAPT (0.41) MAPTALDH1A1PTGDR2LMNASMN1; SMN2
SCHEMBL509399 0.80 MAPT (0.36) THRBMAPTPTGDR2MEN1KMT2A
SCHEMBL12132021 0.80 FAAH (0.35) FAAHMAPTPTGDR2LMNA
SCHEMBL509007 0.79 MAPT (0.36) MAPTPTGDR2
SCHEMBL509764 0.75 ALDH1A1 (0.39) ALDH1A1PTGDR2KMT2ALMNASMN1; SMN2

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 13 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
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 FAAH 4783/4885THRB 1725/4885MAPT 2220/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 FAAH 4758/4885THRB 2256/4885MAPT 2163/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD FAAH 4609/4885THRB 2741/4885MAPT 1474/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 FAAH 4365/4885THRB 3051/4885MAPT 2150/4885

“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.