SCHEMBL5746194

SCHEMBL5746194

N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.62
DPP4 P27487 6/20 0.53
SLC7A5 Q01650 1/20 0.53
OPRD1 P41143 1/20 0.51
SMYD3 Q9H7B4 4/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL5746200 1.00 HDAC8 (0.62) HDAC8DPP4SLC7A5OPRD1SMYD3
SCHEMBL3140448 0.87 DPP4 (0.60) HDAC8DPP4HRH2HRH1
SCHEMBL6164614 0.87 HDAC8 (0.64) HDAC8DPP4SLC7A5OPRD1
SCHEMBL7567649 0.87 HDAC8 (0.64) HDAC8DPP4SLC7A5OPRD1
SCHEMBL7566120 0.87 HDAC8 (0.64) HDAC8DPP4SLC7A5OPRD1
SCHEMBL14390395 0.86 HDAC8 (0.67) HDAC8DPP4SLC7A5OPRD1SMYD3
SCHEMBL27388252 0.84 HDAC8 (0.63) HDAC8DPP4SLC7A5OPRD1SMYD3
Trifluoroacetic Acid SCHEMBL9055785 0.81 HDAC8 (0.57) HDAC8DPP4SLC7A5OPRD1
Hydrochloric Acid SCHEMBL6165132 0.80 HDAC8 (0.61) HDAC8DPP4SLC7A5OPRD1SMYD3
Hydrochloric Acid SCHEMBL6165142 0.80 HDAC8 (0.61) HDAC8DPP4SLC7A5OPRD1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487449-A4 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-08-23 EP claimed
US-7094895-B2 Tyrosyl derivatives and their use as P2X7 receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-08-22 US claimed
EP-1487449-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-12-22 EP claimed
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators CREDIT SUISSE AG 2003-09-25 US claimed
WO-2003059353-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-07-24 WO 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-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators P2RX7, P2RX3, P2RX5 HDAC8 3270/4885DPP4 556/4885SLC7A5 1592/4885

“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.