SCHEMBL7570552

SCHEMBL7570552

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccnc1N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
P2RX7 Q99572 10/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CHIA Q9BZP6 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.48

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 SCHEMBL7576937 0.81 P2RX7 (0.47) TSHRHSD17B10P2RX7MEN1KMT2A
SCHEMBL3458610 0.80 P2RX7 (0.68) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7571532 0.79 P2RX7 (0.54) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7572019 0.78 P2RX7 (0.62) HSD17B10P2RX7MEN1KMT2AALDH1A1
SCHEMBL7572974 0.77 P2RX7 (0.60) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL13958643 0.77 P2RX7 (0.58) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7572059 0.77 P2RX7 (0.60) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7570991 0.76 P2RX7 (0.59) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL5773010 0.75 P2RX7 (0.63) P2RX7MEN1KMT2AALDH1A1
SCHEMBL7576920 0.75 P2RX7 (0.55) P2RX7MEN1KMT2AALDH1A1KDM4E

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
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-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

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 TSHR 3980/4885HSD17B10 1461/4885P2RX7 311/4885

“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.