SCHEMBL8422210

SCHEMBL8422210

CCCCNC(=O)CCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FAAH O00519 2/20 0.56
PTAFR P25105 2/20 0.56
MAPT P10636 1/20 0.56
TRPV1 Q8NER1 1/20 0.52
TBXAS1 P24557 1/20 0.51
HDAC3 O15379 1/20 0.51
FES P07332 1/20 0.51
RET P07949 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51
FLT4 P35916 1/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL8401889 0.92 CYP1A2 (0.63) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30444565 0.86 FAAH (0.67) CYP3A4TDP1L3MBTL1FAAHPTAFR
SCHEMBL2186612 0.86 FAAH (0.67) CYP3A4TDP1L3MBTL1FAAHPTAFR
SCHEMBL12561403 0.85 CYP3A4 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL24636604 0.84 TBXAS1 (0.70) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9579533 0.84 CYP3A4 (0.58) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12999630 0.83 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL7973865 0.83 CYP3A4 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL16610103 0.82 CYP3A4 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1093862 0.82 HPGD (0.91) HPGDL3MBTL1HDAC3GAA

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
US-20210395302-A1 PEPTIDES FOR ACTIVATION OF CELL SIGNALING IN OSTEOPROGENITOR CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-23 US disclosed
WO-2020018941-A1 PEPTIDES FOR ACTIVATION OF CELL SIGNALING IN OSTEOPROGENITOR CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-23 WO disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 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 (2 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-20210395302-A1 PEPTIDES FOR ACTIVATION OF CELL SIGNALING IN OSTEOPROGENITOR CELLS ITGB4, ITGA4, ITGB1 HPGD 2976/4885CYP1A2 4843/4885CYP3A4 4307/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 HPGD 4461/4885CYP1A2 4861/4885CYP3A4 3827/4885

“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.