SCHEMBL6084569

SCHEMBL6084569

COc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 1.00
KMT2A Q03164 3/20 0.68
CNR2 P34972 2/20 0.66
FAAH O00519 1/20 0.66
HDAC11 Q96DB2 1/20 0.64
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 1/20 0.57
KCNA3 P22001 1/20 0.54
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL7571850 0.85 P2RX7 (0.74) P2RX7KMT2ACNR2FAAHHDAC11
SCHEMBL7568709 0.82 P2RX7 (1.00) P2RX7KMT2AMEN1ALDH1A1
SCHEMBL7569533 0.82 P2RX7 (0.69) P2RX7KMT2ACNR2FAAHHDAC11
Hydrochloric Acid SCHEMBL7572971 0.81 P2RX7 (0.68) P2RX7KMT2ACNR2FAAHHDAC11
SCHEMBL8381564 0.81 P2RX7 (0.72) P2RX7
SCHEMBL7572613 0.81 P2RX7 (0.72) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL14160432 0.80 P2RX7 (0.71) P2RX7
SCHEMBL7570190 0.80 P2RX7 (1.00) P2RX7
SCHEMBL7571529 0.80 P2RX7 (1.00) P2RX7
SCHEMBL31424200 0.80 P2RX7 (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 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 (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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 P2RX7 228/4885KMT2A 2004/4885CNR2 123/4885

“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.