SCHEMBL6573572

SCHEMBL6573572

CN(C(=O)c1cc(OCCCSCCNC(=O)O)ccc1Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.41
SCN9A Q15858 1/20 0.41
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6573575 0.82 P2RX7 (0.62) P2RX7
SCHEMBL6571934 0.74 SCN9A (0.46) P2RX7SCN9AHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL7689118 0.73 P2RX7 (0.48) P2RX7
SCHEMBL6571558 0.72 P2RX7 (0.65) P2RX7
SCHEMBL6571918 0.71 P2RX7 (0.64) P2RX7
Hydrochloric Acid SCHEMBL6571536 0.70 P2RX7 (0.63) P2RX7
SCHEMBL6572535 0.69 P2RX7 (0.64) P2RX7
SCHEMBL7568675 0.66 P2RX7 (0.72) P2RX7
SCHEMBL6574199 0.66 P2RX7 (0.65) P2RX7
Hydrochloric Acid SCHEMBL6572764 0.66 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720452-B2 SUBSTITUTED BENZMIDE-N-METHYL ADMANATANE DERIVATIVES USEFUL FOR TREATMENT OF RHEUMATOID ARTHRITIS AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2004-04-13 US disclosed
EP-1240132-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20020193414-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-19 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-20020193414-A1 Adamantane derivatives APP, ADORA1, ADAM17 P2RX7 894/4885SCN9A 562/4885HSD11B1 317/4885

“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.