SCHEMBL6572989

SCHEMBL6572989

C[C@@H](CO)NCCOc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.66
ABCB11 O95342 1/20 0.56

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
SCHEMBL6572999 1.00 P2RX7 (0.66) P2RX7ABCB11
SCHEMBL6571668 1.00 P2RX7 (0.66) P2RX7ABCB11
Hydrochloric Acid SCHEMBL6571830 0.99 P2RX7 (0.64) P2RX7ABCB11
SCHEMBL7690934 0.89 P2RX7 (0.51) P2RX7ABCB11
SCHEMBL6571386 0.86 P2RX7 (0.67) P2RX7
SCHEMBL6572928 0.86 P2RX7 (0.67) P2RX7
SCHEMBL6571501 0.86 P2RX7 (0.67) P2RX7
Hydrochloric Acid SCHEMBL6572046 0.85 P2RX7 (0.66) P2RX7
Hydrochloric Acid SCHEMBL6573385 0.85 P2RX7 (0.66) P2RX7
SCHEMBL6572116 0.84 P2RX7 (0.76) 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 5 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 claimed
EP-1240132-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-07 EP claimed
US-20020193414-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-19 US claimed
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

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 894/4885ABCB11 230/4885

“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.