SCHEMBL13958596

SCHEMBL13958596

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(NCCc2ccc3c(c2)OCO3)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.53
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
P2RX3 P56373 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP2K7 O14733 1/20 0.41

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
SCHEMBL4512053 0.91 P2RX7 (0.66) P2RX7HPGDKDM4EP2RX3MAP2K7
SCHEMBL13958575 0.86 P2RX7 (0.58) P2RX7P2RX3
SCHEMBL13958610 0.85 P2RX7 (0.59) P2RX7P2RX3
SCHEMBL13958600 0.84 P2RX7 (0.56) P2RX7P2RX3
SCHEMBL13958623 0.81 P2RX7 (0.53) P2RX7P2RX3
SCHEMBL13958603 0.80 P2RX7 (0.55) P2RX7P2RX3
SCHEMBL13958562 0.80 P2RX7 (0.75) P2RX7P2RX3
SCHEMBL13958573 0.79 P2RX7 (0.60) P2RX7P2RX3
SCHEMBL13958590 0.79 P2RX7 (0.60) P2RX7P2RX3
SCHEMBL13958566 0.79 P2RX7 (0.61) P2RX7P2RX3

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 2 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-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 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-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D P2RX7 554/4885HPGD 1933/4885KDM4E 3756/4885

“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.