SCHEMBL5225352

SCHEMBL5225352

CCc1nn(CCO)c(CC)c1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
PGR P06401 2/20 0.40
KCNH2 Q12809 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
FFAR1 O14842 1/20 0.36
PDE5A O76074 4/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
CYP11B2 P19099 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
ICMT O60725 1/20 0.34
HTR2A P28223 2/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL508288 0.87 PGR (0.40) ARPGRPDE5ACYP11B2ICMT
SCHEMBL5226171 0.85 FPR2 (0.41) PGRSLC6A3PTGDR2
SCHEMBL4097849 0.82 PGR (0.59) PGRKCNH2CYP11B2
SCHEMBL5225185 0.81 LMNA (0.37) SLC6A4SLC6A3PTGDR2SLC22A12
SCHEMBL508453 0.81 PGR (0.44) PGRKCNH2PTGDR2
Lersivirine SCHEMBL508446 0.80 KCNH2 (0.49) PGRKCNH2PTGDR2CYP11B2
SCHEMBL2716684 0.80 KCNH2 (0.54) PGRKCNH2PTGDR2
SCHEMBL5227746 0.79 PTGDR2 (0.42) KCNH2SLC6A4PTGDR2HTR2A
SCHEMBL5229454 0.79 PGR (0.39) PGRKCNH2CYP11B2
SCHEMBL4107983 0.79 AR (0.42) ARPGRSLC22A12

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 AR 3249/4885PGR 1045/4885KCNH2 3503/4885

“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.