SCHEMBL7571586

SCHEMBL7571586

CN(C)CCCOc1ccc(Sc2ncccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40

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 SCHEMBL7572364 0.86 MAPT (0.47) P2RX7ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7571682 0.86 ALDH1A1 (0.60) P2RX7ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7571707 0.83 P2RX7 (0.57) P2RX7ALDH1A1POLBSMN1; SMN2ATM
SCHEMBL7572059 0.77 P2RX7 (0.60) P2RX7ALDH1A1KMT2AMEN1
SCHEMBL7569262 0.76 P2RX7 (0.57) P2RX7ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7568729 0.74 P2RX7 (0.54) P2RX7ALDH1A1MAPTKMT2AMEN1
SCHEMBL7572974 0.73 P2RX7 (0.60) P2RX7ALDH1A1KMT2AMEN1
SCHEMBL7571514 0.73 ALDH1A1 (0.51) P2RX7ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7569533 0.72 P2RX7 (0.69) P2RX7ALDH1A1MAPTKMT2AMEN1
SCHEMBL7570015 0.72 P2RX7 (0.54) P2RX7ALDH1A1KMT2AMEN1

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 9 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

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 311/4885ALDH1A1 1215/4885LMNA 2103/4885

“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.