SCHEMBL6636724

SCHEMBL6636724

O=C1Nc2ccccc2CC12CCCNC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 7/20 0.49
BACE1 P56817 1/20 0.44
HTR2A P28223 1/20 0.42
MAPT P10636 1/20 0.39
AHR P35869 1/20 0.39
PDK2 Q15119 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CRBN Q96SW2 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
POLB P06746 1/20 0.35

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 SCHEMBL6634698 0.98 OTUD7B (0.48) OTUD7BBACE1HTR2AMAPTAHR
SCHEMBL20721863 0.91 OTUD7B (0.51) OTUD7BBACE1HTR2AMAPTAHR
SCHEMBL29561497 0.91 OTUD7B (0.51) OTUD7BBACE1HTR2AMAPTAHR
SCHEMBL14941419 0.84 OTUD7B (0.56) OTUD7BMAPTAHRPDK2NPC1
SCHEMBL31415640 0.81 OTUD7B (0.54) OTUD7BBACE1MAPTAHRPDK2
SCHEMBL2604301 0.81 OTUD7B (0.54) OTUD7BBACE1MAPTAHRPDK2
SCHEMBL30293249 0.80 OTUD7B (0.59) OTUD7BBACE1MAPTAHRPDK2
SCHEMBL14941425 0.80 OTUD7B (0.59) OTUD7BBACE1MAPTAHRPDK2
Trifluoroacetic Acid SCHEMBL29370029 0.80 OTUD7B (0.43) OTUD7BBACE1HTR2AAHRPDK2
Hydrochloric Acid SCHEMBL3185718 0.80 OTUD7B (0.52) OTUD7BBACE1MAPTAHRPDK2

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 OTUD7B 2835/4885BACE1 4822/4885HTR2A 1255/4885

“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.