SCHEMBL6571934

SCHEMBL6571934

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.39
EPHX2 P34913 1/20 0.38
P2RX7 Q99572 11/20 0.38
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6571938 0.80 P2RX7 (0.62) P2RX7
SCHEMBL6574891 0.76 P2RX7 (0.40) LMNAEPHX2P2RX7
SCHEMBL6573572 0.74 P2RX7 (0.41) SCN9AHSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6573186 0.73 P2RX7 (0.61) P2RX7
SCHEMBL6571362 0.73 P2RX7 (0.41) LMNAEPHX2P2RX7
SCHEMBL6572489 0.72 P2RX7 (0.57) P2RX7
SCHEMBL6574791 0.72 P2RX7 (0.41) ALDH1A1LMNAEPHX2P2RX7
SCHEMBL6572556 0.71 P2RX7 (0.61) P2RX7
SCHEMBL6572993 0.71 P2RX7 (0.58) P2RX7
SCHEMBL6574980 0.71 P2RX7 (0.50) LMNAEPHX2P2RX7

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 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
EP-1240132-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-18 EP disclosed
WO-2001042194-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-14 WO 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 SCN9A 562/4885HSD11B1 317/4885ALDH1A1 166/4885

“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.