SCHEMBL6635136

SCHEMBL6635136

CN1CCC=C(COCC2=CCCN(C)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.42
CHRM2 P08172 6/20 0.42
CHRM5 P08912 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM4 P08173 4/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
BLM P54132 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL9130174 0.86 CHRM2 (0.48) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL8325048 0.78
SCHEMBL3336874 0.77
SCHEMBL13900957 0.77 CHRM1 (0.47) CHRM1CHRM2CHRM5CHRM3CHRM4
Hydrochloric Acid SCHEMBL1897876 0.75 CHRNB2 (0.42) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL21461250 0.73 CHRM2 (0.45) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL10740679 0.72 CHRNB2 (0.43) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL9499202 0.71 CHRNB2 (0.50) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL307559 0.69
SCHEMBL10741620 0.68 CHRNB2 (0.40) CHRM1CHRM2CHRM5CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774132-B1 Spirooxindole derivatives that act as analgesics ASTRAZENECA AB (SE) 2004-08-10 US disclosed
EP-1426375-A2 Analgesic spiroindole derivatives AstraZeneca AB (SE) 2004-06-09 EP disclosed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 US disclosed
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 EP disclosed
EP-1202994-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-05-08 EP disclosed
WO-2001005790-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2001-01-25 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-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. OPRK1, OPRD1, OPRL1 CHRM1 568/4885CHRM2 1021/4885CHRM5 801/4885

“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.