SCHEMBL10083004

SCHEMBL10083004

CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.52
LTA4H P09960 2/20 0.51
SPHK1 Q9NYA1 1/20 0.48
HRH3 Q9Y5N1 4/20 0.48
CD274 Q9NZQ7 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
PDCD1 Q15116 1/20 0.45
MMEL1 Q495T6 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL10071095 0.87 ACE (0.52) ACELTA4HSPHK1HRH3CD274
SCHEMBL10071091 0.76 ACE (0.57) ACELTA4HSPHK1HRH3LMNA
SCHEMBL7393230 0.76 ACE (0.60) ACEKMT2A
SCHEMBL7267752 0.76 ACE (0.60) ACEKMT2A
SCHEMBL19042214 0.75 NPC1 (0.47) LTA4HHRH3LMNAGAARAB9A
SCHEMBL14973399 0.74 ACE (0.59) ACELTA4HSPHK1
SCHEMBL9906649 0.74 SPHK2 (0.56) SPHK1
SCHEMBL5732641 0.74 ACE (0.47) ACESPHK1SMN1; SMN2
SCHEMBL10906633 0.73 ACE (0.67) ACELTA4HLMNASMN1; SMN2
SCHEMBL6017607 0.73 ACE (0.54) ACEGAAALDH1A1KMT2AMMP9

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-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 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-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR ACE 2838/4885LTA4H 1508/4885SPHK1 1176/4885

“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.