SCHEMBL5115018

SCHEMBL5115018

C[C@@H](NC(=O)c1cc(-c2ccccc2C(=O)O)ccc1Cl)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.55
PPARG P37231 3/20 0.55
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
IDO1 P14902 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
CRHR1 P34998 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL5552200 1.00 P2RX7 (0.55) P2RX7PPARGTAS1R3TAS1R1IDO1
SCHEMBL5643173 0.81 TAS1R3 (0.64) P2RX7TAS1R3TAS1R1IDO1ALDH1A1
SCHEMBL5111387 0.78 P2RX7 (0.66) P2RX7PPARGMEN1KMT2AALDH1A1
SCHEMBL5119224 0.78 P2RX7 (0.66) P2RX7PPARGMEN1KMT2AALDH1A1
SCHEMBL5115009 0.77 P2RX7 (0.63) P2RX7PPARGMEN1KMT2AALDH1A1
SCHEMBL5120267 0.76 P2RX7 (0.65) P2RX7PPARGMEN1KMT2AALDH1A1
SCHEMBL5120264 0.76 P2RX7 (0.65) P2RX7PPARGMEN1KMT2AALDH1A1
SCHEMBL5120270 0.76 P2RX7 (0.65) P2RX7PPARGMEN1KMT2AALDH1A1
SCHEMBL4881566 0.74 ALDH1A1 (0.58) P2RX7MEN1KMT2AALDH1A1GAA
SCHEMBL5119528 0.73 NPC1 (0.67) P2RX7PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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 (2 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 P2RX7 4/4885PPARG 800/4885TAS1R3 868/4885
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP P2RX7 1217/4885PPARG 3783/4885TAS1R3 3122/4885

“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.