SCHEMBL2500837

SCHEMBL2500837

COc1ccc(COC(=O)[C@@H]2CCC[C@@H]2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
EPHX2 P34913 1/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 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
SCHEMBL30268981 0.83 TSHR (0.52) FABP7FABP5ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL30288643 0.82 TSHR (0.54) FABP7FABP5ALDH1A1SMN1; SMN2NPC1
SCHEMBL28813611 0.81 ALDH1A1 (0.57) FABP7FABP5HTTALDH1A1EPHX2
SCHEMBL10137530 0.80 TSHR (0.49) FABP7FABP5ALDH1A1SMN1; SMN2NPC1
SCHEMBL20411461 0.79 TSHR (0.48) FABP7FABP5ALDH1A1SMN1; SMN2NPC1
SCHEMBL19981404 0.79 TSHR (0.48) FABP7FABP5ALDH1A1SMN1; SMN2NPC1
SCHEMBL20411427 0.79 TSHR (0.48) FABP7FABP5ALDH1A1SMN1; SMN2NPC1
SCHEMBL27793138 0.79 ALDH1A1 (0.61) FABP7FABP5ALDH1A1EPHX2SMN1; SMN2
SCHEMBL8502974 0.78 FABP7 (0.58) FABP7FABP5HTTALDH1A1SMN1; SMN2
SCHEMBL8191635 0.78 FABP7 (0.58) FABP7FABP5HTTALDH1A1SMN1; SMN2

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
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 FABP7 3483/4885FABP5 2190/4885HTT 4865/4885

“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.