SCHEMBL5028140

SCHEMBL5028140

NCC1CCC(NC(=O)NCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.69
HPGD P15428 2/20 0.69
DRD4 P21917 1/20 0.61
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EPHX2 P34913 2/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
DRD3 P35462 1/20 0.49
GAA P10253 1/20 0.49
MCHR1 Q99705 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL5028143 1.00 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL20911011 0.89 EPHX1 (0.84) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL23349229 0.88 EPHX1 (0.73) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL24011289 0.86 EPHX1 (0.71) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL5318930 0.86 EPHX1 (0.69) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL2752603 0.83 EPHX1 (0.97) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL6436349 0.82 EPHX1 (1.00) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL8599433 0.79 ALDH1A1 (0.69) HPGDALDH1A1KMT2ATSHRHTR1A
SCHEMBL6622416 0.79 EPHX1 (0.73) EPHX1HPGDDRD4RAB9ASMN1; SMN2
SCHEMBL8599432 0.79 ALDH1A1 (0.69) HPGDALDH1A1KMT2ATSHRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B EPHX1 3454/4885HPGD 3104/4885DRD4 2971/4885

“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.