SCHEMBL7571569

SCHEMBL7571569

O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.81
KMT2A Q03164 1/20 0.55
EPHX2 P34913 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL7571375 0.90 P2RX7 (1.00) P2RX7KMT2A
SCHEMBL6362496 0.87 P2RX7 (1.00) P2RX7
SCHEMBL7576533 0.80 P2RX7 (0.78) P2RX7KMT2AEPHX2HDAC11
SCHEMBL7570366 0.78 P2RX7 (0.78) P2RX7KMT2A
SCHEMBL7571529 0.76 P2RX7 (1.00) P2RX7
SCHEMBL7667287 0.76 P2RX7 (0.67) P2RX7
SCHEMBL4880644 0.76 P2RX7 (0.69) P2RX7KMT2A
SCHEMBL7568662 0.75 P2RX7 (0.79) P2RX7
SCHEMBL11885587 0.75 P2RX7 (0.58) P2RX7KMT2A
SCHEMBL7576509 0.74 P2RX7 (0.77) P2RX7EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US claimed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US claimed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US disclosed
US-6258838-B1 Compounds ASTRAZENECA AB (SE) 2001-07-10 US disclosed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US disclosed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 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 (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-20010003121-A1 Novel compounds APP, BACE1, CHRNA5 P2RX7 311/4885KMT2A 4437/4885EPHX2 830/4885

“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.