SCHEMBL4500841

SCHEMBL4500841

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.59
KDM4C Q9H3R0 1/20 0.56
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6084856 0.84 P2RX7 (0.58) P2RX7NPC1RAB9A
SCHEMBL6084070 0.80 CNR2 (0.57) ALDH1A1GAAMAPTHPGDHDAC8
SCHEMBL3021583 0.78 P2RX7 (0.57) P2RX7ALDH1A1
SCHEMBL1879183 0.75 HDAC8 (0.52) KDM4CALDH1A1GAAMAPTHPGD
SCHEMBL3454922 0.75 P2RX7 (1.00) P2RX7
SCHEMBL10288646 0.74 ALDH1A1 (0.74) KDM4CALDH1A1GAAMAPTHPGD
SCHEMBL1742676 0.73 KDM4C (0.69) KDM4CALDH1A1GAAMAPTHPGD
SCHEMBL5095301 0.73 ALDH1A1 (0.73) KDM4CALDH1A1GAAMAPTHPGD
SCHEMBL22819412 0.73 KDM4C (0.69) KDM4CALDH1A1GAAMAPTHPGD
SCHEMBL8121085 0.73 P2RX7 (0.64) P2RX7

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 claimed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US claimed
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

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 554/4885KDM4C 4096/4885ALDH1A1 117/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885KDM4C 4246/4885ALDH1A1 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.