SCHEMBL5653519

SCHEMBL5653519

NC(=O)[C@H](CCC(=O)O)N(CCCc1ccccc1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
F7 P08709 2/20 0.44
CCKBR P32239 1/20 0.41
METAP2 P50579 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5653109 0.85 SRD5A2 (0.47)
SCHEMBL4621072 0.85 SMN1; SMN2 (0.40) MAPTHDAC1HDAC3MAPK1ADRA1A
SCHEMBL5651545 0.83 MMP12 (0.44) CYP1A2MAPTHDAC1HDAC3MAPK1
SCHEMBL27826145 0.73 TRPM8 (0.46) KDM4EHDAC1HDAC3HDAC7HDAC10
SCHEMBL4621074 0.72 NPC1 (0.40) CYP1A2KDM4EMAPTSMN1; SMN2
SCHEMBL4363950 0.72 MMP12 (0.42) SMN1; SMN2
SCHEMBL5652165 0.72 STAT3 (0.42) CCKBRMAPTHDAC3
SCHEMBL4622938 0.71 HTR7 (0.39) CCKBRMAPTCA12CA1SMN1; SMN2
SCHEMBL5650478 0.71 TRPM8 (0.50)
SCHEMBL4623713 0.71 TRPM8 (0.46) F10SMN1; SMN2HDAC8

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed

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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CYP1A2 4799/4885F2 4142/4885F10 2019/4885

“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.