SCHEMBL5748838

SCHEMBL5748838

Cc1cc(Br)ccc1N1CCN(C(=O)C(Cc2ccc(O)cc2)N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
AAK1 Q2M2I8 1/20 0.39
P2RX7 Q99572 4/20 0.37
RBP4 P02753 1/20 0.37
BACE1 P56817 4/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MC4R P32245 3/20 0.34
OPRK1 P41145 1/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL5748833 1.00 ADORA1 (0.42) ADORA1AAK1P2RX7RBP4BACE1
SCHEMBL5747016 0.87 P2RX7 (0.48) ADORA1P2RX7MAPTHTTMEN1
SCHEMBL5745574 0.87 P2RX7 (0.48) ADORA1P2RX7MAPTHTTMEN1
SCHEMBL5743445 0.84 MAPT (0.50) ADORA1P2RX7MAPTHTTMEN1
SCHEMBL5743443 0.84 MAPT (0.50) ADORA1P2RX7MAPTHTTMEN1
SCHEMBL5745397 0.82 SMN1; SMN2 (0.49) ADORA1P2RX7MAPTHTTMEN1
SCHEMBL5773095 0.82 SMN1; SMN2 (0.49) ADORA1P2RX7MAPTHTTMEN1
SCHEMBL5747677 0.81 P2RX7 (0.48) ADORA1P2RX7RBP4MEN1KMT2A
SCHEMBL5747674 0.81 P2RX7 (0.48) ADORA1P2RX7RBP4MEN1KMT2A
SCHEMBL5747701 0.81 P2RX7 (0.48) ADORA1P2RX7MAPTHTTMEN1

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 ADORA1 47/4885AAK1 2084/4885P2RX7 1/4885

“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.