SCHEMBL5745220

SCHEMBL5745220

CC1CN(c2ccccc2C(=O)O)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.47
BRD4 O60885 2/20 0.47
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MYC P01106 4/20 0.44
PRKCQ Q04759 2/20 0.44
NR4A1 P22736 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
BIRC2 Q13490 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.41
PMP22 Q01453 1/20 0.41
HDAC1 Q13547 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
KHK P50053 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29474740 0.87 NPC1 (0.55) BRPF1BRD4KCNH2HRH3PRKCQ
SCHEMBL8187651 0.87 NPC1 (0.55) BRPF1BRD4KCNH2HRH3PRKCQ
SCHEMBL5745275 0.85 BRPF1 (0.53) BRPF1BRD4MYCPRKCQALDH1A1
SCHEMBL9113475 0.81 GAA (0.52) BRPF1BRD4KCNH2HRH3PRKCQ
SCHEMBL11106905 0.80 ALDH1A1 (0.46) BRPF1BRD4KCNH2HRH3ALDH1A1
SCHEMBL6826000 0.79 KMT2A (0.54) MYCNR4A1ALDH1A1LMNAKDM4E
SCHEMBL109882 0.78 ADRB1 (0.55) ALDH1A1HSD17B10ALOX15
SCHEMBL17177051 0.78 MYC (0.45) BRD4MYCNR4A1ALDH1A1ALOX15
SCHEMBL6828581 0.77 GAA (0.56) MYCNR4A1ALDH1A1LMNAKDM4E
SCHEMBL21268764 0.76 ADRB1 (0.61) ALDH1A1LMNAHPGDKHK

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-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ BRPF1 3518/4885BRD4 1443/4885KCNH2 1360/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS BRPF1 3013/4885BRD4 587/4885KCNH2 2061/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK BRPF1 3877/4885BRD4 1359/4885KCNH2 2167/4885

“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.