SCHEMBL6863885

SCHEMBL6863885

CC(CN)(C(=O)O)C(N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 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
SCHEMBL16447715 0.81 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27481507 0.79 KDM4E (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7038036 0.75 KDM4E (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1153493 0.74 KDM4E (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1153491 0.74 KDM4E (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8540631 0.74 KDM4E (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3843513 0.74 SLC6A2 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14038762 0.74 SLC6A2 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10253191 0.74 SLC6A2 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4551685 0.74 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5

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-20040005274-A1 Targeting multimeric imaging agents through multilocus binding EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-01-08 US disclosed
US-6652835-B1 Improved relaxivity properties upon binding EPIX MEDICAL, INC. 2003-11-25 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-20040005274-A1 Targeting multimeric imaging agents through multilocus binding ILK, PBRM1, FABP1 ALPI 4579/4885PKM 260/4885PTGS1 4495/4885

“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.