SCHEMBL17323966

SCHEMBL17323966

O=C(NCC1(O)CCCC(F)(F)C1)c1c(Cl)ccc2nc(N3CCC3)ccc12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.82
IL1B P01584 1/20 0.46

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
SCHEMBL17324041 1.00 P2RX7 (0.82) P2RX7IL1B
SCHEMBL17324038 1.00 P2RX7 (0.82) P2RX7IL1B
SCHEMBL17324006 0.93 P2RX7 (0.80) P2RX7IL1B
SCHEMBL17323997 0.92 P2RX7 (0.79) P2RX7
SCHEMBL17324008 0.92 P2RX7 (0.79) P2RX7
SCHEMBL17323971 0.92 P2RX7 (0.79) P2RX7
SCHEMBL17323992 0.91 P2RX7 (1.00) P2RX7
SCHEMBL17323970 0.91 P2RX7 (1.00) P2RX7
SCHEMBL17323989 0.91 P2RX7 (1.00) P2RX7
SCHEMBL17324055 0.91 P2RX7 (1.00) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
US-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 US disclosed
US-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 US disclosed
WO-2015187905-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 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-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 P2RX7 1/4885IL1B 544/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 P2RX7 1/4885IL1B 544/4885

“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.