SCHEMBL3842573

SCHEMBL3842573

CNCCCN(C)c1ccc2c(NC(=O)CC3CCC(C(F)(F)F)CC3)c(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.49
PTGES O14684 10/20 0.37
MCHR1 Q99705 4/20 0.36
LCK P06239 1/20 0.36
HTR2C P28335 1/20 0.36
MCHR2 Q969V1 1/20 0.36

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
Hydrochloric Acid SCHEMBL3843943 0.99 P2RX7 (0.49) P2RX7PTGESMCHR1LCKHTR2C
SCHEMBL3837017 0.89 P2RX7 (0.62) P2RX7MCHR1LCKHTR2CMCHR2
Hydrochloric Acid SCHEMBL3840988 0.88 P2RX7 (0.61) P2RX7MCHR1LCKHTR2CMCHR2
SCHEMBL13972677 0.84 P2RX7 (0.51) P2RX7MCHR1LCKHTR2CMCHR2
SCHEMBL3837164 0.82 P2RX7 (0.51) P2RX7MCHR1HTR2CMCHR2
SCHEMBL3842138 0.81 P2RX7 (0.52) P2RX7PTGESLCK
SCHEMBL13958677 0.77 P2RX7 (0.56) P2RX7
Hydrochloric Acid SCHEMBL4517950 0.76 P2RX7 (0.55) P2RX7
SCHEMBL3837175 0.75 P2RX7 (0.44) P2RX7MCHR1HTR2CMCHR2
Hydrochloric Acid SCHEMBL3841325 0.75 P2RX7 (0.43) P2RX7MCHR1HTR2CMCHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP claimed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US claimed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US claimed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US claimed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 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 (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-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 P2RX7 1/4885PTGES 794/4885MCHR1 832/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885PTGES 794/4885MCHR1 832/4885

“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.