SCHEMBL5228520

SCHEMBL5228520

Cc1n[nH]c(CNCC2CC2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 2/20 0.37
P2RX7 Q99572 1/20 0.36
CRHR1 P34998 4/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CXCR4 P61073 3/20 0.33
SCN9A Q15858 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PIM1 P11309 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1I Q9P0X4 2/20 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
SCHEMBL5224371 0.81 KCNH2 (0.44) KCNH2P2RX7CYP3A4MAPTENPP3
SCHEMBL5229626 0.80 HTT (0.39) ALDH1A1KCNH2P2RX7MEN1KMT2A
SCHEMBL5228191 0.78 P2RX7 (0.41) KCNH2P2RX7MAPT
SCHEMBL509432 0.77 BCHE (0.40) ALDH1A1MAPT
SCHEMBL509008 0.77 LMNA (0.38) KCNH2P2RX7MEN1KMT2AMAPT
SCHEMBL5231467 0.75 KCNH2 (0.43) KCNH2P2RX7CYP3A4MAPTENPP3
SCHEMBL508181 0.74 KCNH2 (0.47) KCNH2P2RX7CYP3A4
SCHEMBL509451 0.74 CYP1A2 (0.45) ALDH1A1MEN1KMT2ATP53CYP2D6
SCHEMBL508179 0.74 KCNH2 (0.42) KCNH2P2RX7MEN1KMT2ATP53
Bromide SCHEMBL509049 0.74 KCNH2 (0.42) KCNH2P2RX7CYP3A4MAPTENPP3

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 ALDH1A1 385/4885KCNH2 3503/4885P2RX7 2065/4885

“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.