SCHEMBL6637338

SCHEMBL6637338

CCCN1CCCC2(C1)C(=O)Nc1nc(C)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.36
HTR2A P28223 12/20 0.36
HTR7 P34969 12/20 0.36
HTR6 P50406 12/20 0.36
MAPK14 Q16539 2/20 0.36
PIK3CD O00329 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6B P35913 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE5A O76074 3/20 0.32

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
Hydrochloric Acid SCHEMBL6642177 0.99 HTR1A (0.36) HTR1AHTR2AHTR7HTR6MAPK14
SCHEMBL6635683 0.81 CALCRL (0.42) HTR1AHTR2AHTR7HTR6
SCHEMBL6665647 0.79 MAPK14 (0.38) MAPK14PIK3CDPDE5A
SCHEMBL6635868 0.75 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6638270 0.75 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6636447 0.75 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6636250 0.74 MAP3K11 (0.42) HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6636962 0.74 HTR7 (0.59) HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6639494 0.74 HTR7 (0.59) HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6641395 0.74 HTR7 (0.59) HTR1AHTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426375-A2 Analgesic spiroindole derivatives AstraZeneca AB (SE) 2004-06-09 EP claimed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 US claimed
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 EP claimed
EP-1202994-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-05-08 EP claimed
WO-2001005790-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2001-01-25 WO claimed
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 HTR1A 402/4885HTR2A 1255/4885HTR7 918/4885

“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.