SCHEMBL5216732

SCHEMBL5216732

CC(C)Cc1nnc(C2CCN(c3ncccn3)CC2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OGA O60502 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHI3L1 P36222 1/20 0.34

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
SCHEMBL5101802 0.83 USP30 (0.41) USP30KDM4ECYP2C19LMNAALDH1A1
SCHEMBL5008938 0.78 OGA (0.48) USP30KDM4ECYP2C19LMNAALDH1A1
SCHEMBL6184868 0.73 ALDH1A1 (0.41) USP30KDM4ECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6184863 0.73 ALDH1A1 (0.41) USP30KDM4ECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6184874 0.73 ALDH1A1 (0.41) USP30KDM4ECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL13742838 0.72 THRB (0.37) KCNH2HTR4
SCHEMBL15133278 0.70 KDM4E (0.49) KDM4ECYP2C19LMNAALDH1A1GLA
SCHEMBL5098377 0.69 ALDH1A1 (0.33) USP30KDM4ELMNAALDH1A1DPP4
SCHEMBL5108048 0.68 AVPR1A (0.50)
SCHEMBL5215650 0.68 AVPR1A (0.50)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP disclosed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO 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 (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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A USP30 3946/4885KDM4E 4654/4885CYP2C19 478/4885

“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.