SCHEMBL6635683

SCHEMBL6635683

CCCN1CCCC2(C1)C(=O)Nc1ncccc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 9/20 0.42
CALCA P06881 3/20 0.42
HTR1A P08908 6/20 0.41
HTR2A P28223 6/20 0.41
HTR7 P34969 6/20 0.41
HTR6 P50406 6/20 0.41
CALCB P10092 1/20 0.38
ADM2 Q7Z4H4 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
SCHEMBL6634875 0.82 HTR7 (0.41) HTR1AHTR2AHTR7HTR6
SCHEMBL6637338 0.81 HTR1A (0.36) HTR1AHTR2AHTR7HTR6
SCHEMBL15999444 0.80 CALCA (0.44) CALCRLCALCA
SCHEMBL30087869 0.80 CALCA (0.44) CALCRLCALCA
SCHEMBL15699749 0.80 CALCA (0.44) CALCRLCALCA
SCHEMBL31456516 0.80 CALCA (0.44) CALCRLCALCA
SCHEMBL6638270 0.80 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6636447 0.80 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6635868 0.80 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6642177 0.80 HTR1A (0.36) 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 9 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
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 CALCRL 420/4885CALCA 506/4885HTR1A 402/4885

“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.