SCHEMBL4511152

SCHEMBL4511152

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Br)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.61
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4519721 0.85 TACR3 (0.62) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL4501492 0.80 KDM4E (0.64) MEN1ALDH1A1KMT2A
SCHEMBL6482241 0.80 P2RX7 (0.58) P2RX7ALDH1A1
SCHEMBL13958637 0.78 P2RX7 (0.58) P2RX7MEN1KMT2A
SCHEMBL4506684 0.77 P2RX7 (0.62) P2RX7
SCHEMBL13958643 0.77 P2RX7 (0.58) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7570190 0.76 P2RX7 (1.00) P2RX7
SCHEMBL8121085 0.76 P2RX7 (0.64) P2RX7
SCHEMBL8381564 0.75 P2RX7 (0.72) P2RX7
Benzoic Acid SCHEMBL4497652 0.75 P2RX7 (0.54) P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US disclosed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 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 (2 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-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D P2RX7 554/4885MEN1 472/4885ALDH1A1 117/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885MEN1 669/4885ALDH1A1 91/4885

“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.