SCHEMBL5773010

SCHEMBL5773010

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.63
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 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
SCHEMBL5773616 0.87 P2RX7 (0.53) P2RX7MEN1ALDH1A1HPGDKMT2A
SCHEMBL7660362 0.81 P2RX7 (0.65) P2RX7
SCHEMBL5710569 0.80 P2RX7 (0.65) P2RX7MEN1ALDH1A1HPGDKMT2A
SCHEMBL7660582 0.79 P2RX7 (0.84) P2RX7
SCHEMBL5777988 0.78 P2RX7 (0.68) P2RX7
SCHEMBL5773216 0.77 P2RX7 (0.56) P2RX7
SCHEMBL7656374 0.77 P2RX7 (1.00) P2RX7
SCHEMBL7667213 0.76 P2RX7 (0.78) P2RX7
SCHEMBL5773015 0.76 P2RX7 (0.52) P2RX7
SCHEMBL7570552 0.75 TSHR (0.56) P2RX7MEN1ALDH1A1KMT2A

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
EP-1292590-B1 ADMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2006-01-18 EP claimed
US-6949539-B2 Admantane derivatives ASTRAZENECA AB (SE) 2005-09-27 US claimed
US-20030187031-A1 Antiinflammatory agents; autoimmune disease; rheumatic disorders ASTRAZENECA AB (SE) 2003-10-02 US claimed
EP-1292590-B1 ADMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2006-01-18 EP disclosed
US-6949539-B2 Admantane derivatives ASTRAZENECA AB (SE) 2005-09-27 US disclosed
US-20030187031-A1 Antiinflammatory agents; autoimmune disease; rheumatic disorders ASTRAZENECA AB (SE) 2003-10-02 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-20030187031-A1 Antiinflammatory agents; autoimmune disease; rheumatic disorders IL1A, IL1R1, MTX1 P2RX7 432/4885MEN1 302/4885ALDH1A1 257/4885

“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.