SCHEMBL6482241

SCHEMBL6482241

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.58
FAP Q12884 2/20 0.53
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PREP P48147 1/20 0.49
PITRM1 Q5JRX3 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49

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
SCHEMBL13958643 0.92 P2RX7 (0.58) P2RX7ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4505010 0.85 NSD2 (0.53) P2RX7SMN1; SMN2
SCHEMBL4492459 0.81 P2RX7 (0.63) P2RX7PREP
SCHEMBL4511152 0.80 P2RX7 (0.61) P2RX7ALDH1A1
SCHEMBL4519721 0.79 TACR3 (0.62) P2RX7ALDH1A1SMN1; SMN2
SCHEMBL13972671 0.78 NSD2 (0.53) P2RX7SMN1; SMN2PREP
SCHEMBL12586606 0.78 P2RX7 (0.56) P2RX7ALDH1A1
SCHEMBL4506684 0.78 P2RX7 (0.62) P2RX7
SCHEMBL5710569 0.78 P2RX7 (0.65) P2RX7ALDH1A1
SCHEMBL3641257 0.75 HTR3A (0.52) P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 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-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885FAP 3630/4885ALDH1A1 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.