SCHEMBL488806

SCHEMBL488806

NCCN1CCN(C(=O)CI)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
SIGMAR1 Q99720 3/20 0.43
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
GAA P10253 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.34
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL6328566 0.82 ALOX15 (0.54) ALOX15SIGMAR1HTR1AHTR7GAA
SCHEMBL31563812 0.80 ALOX15 (0.52) ALOX15SIGMAR1ALDH1A1KMT2AACE2
SCHEMBL22281371 0.80 L3MBTL1 (0.43) HTR1AHTR7GAAHSD17B10KDM4E
SCHEMBL7413697 0.80 ALOX15 (0.52) ALOX15SIGMAR1GAAHRH2HRH1
SCHEMBL9275712 0.80 ALDH1A1 (0.48) ALOX15GAAHSD17B10KDM4EMEN1
SCHEMBL16176792 0.77 SIGMAR1 (0.51) ALOX15SIGMAR1HTR1AHTR7HSD17B10
SCHEMBL22281651 0.77 GPR183 (0.43) SIGMAR1HTR1AHTR7HRH2HRH1
SCHEMBL12120414 0.77 GAA (0.68) ALOX15SIGMAR1GAAHSD17B10KDM4E
SCHEMBL1132119 0.77 ALOX15 (0.59) ALOX15SIGMAR1HTR1AHTR7MEN1
SCHEMBL23775451 0.76 ALOX15 (0.46) ALOX15SIGMAR1HTR1AHTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 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 (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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 ALOX15 3699/4885SIGMAR1 1824/4885HTR1A 1457/4885

“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.