SCHEMBL3006015

SCHEMBL3006015

NC(=O)C(CO)n1ccc2c(NC(=O)CC3CCCCCC3)cccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.57
EPHX2 P34913 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR8 P51685 1/20 0.38

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
SCHEMBL3010634 1.00 P2RX7 (0.57) P2RX7EPHX2AAK1ALDH1A1KMT2A
SCHEMBL2995319 0.90 P2RX7 (0.55) P2RX7EPHX2ALDH1A1KMT2ACCR8
SCHEMBL8233898 0.90 P2RX7 (0.47) P2RX7ALDH1A1KMT2ANPC1RAB9A
SCHEMBL13243922 0.88 P2RX7 (0.63) P2RX7EPHX2AAK1ALDH1A1KMT2A
SCHEMBL3004039 0.88 P2RX7 (0.63) P2RX7EPHX2AAK1ALDH1A1KMT2A
SCHEMBL13243937 0.87 P2RX7 (0.58) P2RX7EPHX2AAK1ALDH1A1KMT2A
SCHEMBL13243931 0.87 P2RX7 (0.58) P2RX7EPHX2AAK1ALDH1A1KMT2A
SCHEMBL3005209 0.86 P2RX7 (0.64) P2RX7EPHX2ALDH1A1KMT2ANPC1
SCHEMBL3007428 0.86 P2RX7 (0.64) P2RX7EPHX2ALDH1A1KMT2ANPC1
SCHEMBL2999020 0.86 P2RX7 (0.64) P2RX7EPHX2ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US disclosed
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US disclosed
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US disclosed
WO-2007109201-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885EPHX2 569/4885AAK1 1773/4885

“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.