SCHEMBL17327596

SCHEMBL17327596

O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 1.00
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
IL1B P01584 4/20 0.43

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
SCHEMBL1805092 0.87 P2RX7 (1.00) P2RX7CNR1CNR2
SCHEMBL17310994 0.84 P2RX7 (0.76) P2RX7
SCHEMBL17327631 0.82 P2RX7 (0.69) P2RX7IL1B
SCHEMBL28139860 0.81 P2RX7 (0.69) P2RX7CNR1CNR2IL1B
SCHEMBL17323998 0.80 P2RX7 (1.00) P2RX7
SCHEMBL17327628 0.80 P2RX7 (0.70) P2RX7IL1B
SCHEMBL17323978 0.80 P2RX7 (1.00) P2RX7
SCHEMBL17324003 0.79 P2RX7 (0.91) P2RX7
SCHEMBL17323972 0.79 P2RX7 (0.98) P2RX7
SCHEMBL17324000 0.79 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 3 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-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

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 1/4885CNR1 137/4885CNR2 135/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 P2RX7 1/4885CNR1 137/4885CNR2 135/4885

“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.