SCHEMBL13312042

SCHEMBL13312042

CN1CCC2(CCCN(C3CCNCC3)C2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.42
ACACA Q13085 9/20 0.42
HRH3 Q9Y5N1 3/20 0.35
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTA4H P09960 1/20 0.30

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 SCHEMBL3497654 0.99 ACACB (0.41) ACACBACACAHRH3L3MBTL3L3MBTL1
SCHEMBL4569983 0.87 ACACB (0.43) ACACBACACA
SCHEMBL13312092 0.81 ACACB (0.37) ACACBACACAHRH3L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3498469 0.80 ACACB (0.36) ACACBACACAHRH3
SCHEMBL3498966 0.77 ACACB (0.46) ACACBACACAHRH3
SCHEMBL13312077 0.76 ACACB (0.34) ACACBACACAHRH3
SCHEMBL3495995 0.76 ACACB (0.44) ACACBACACAHRH3
SCHEMBL13312080 0.76 HRH3 (0.36) ACACBACACAHRH3L3MBTL3L3MBTL1
SCHEMBL4722776 0.76 ACACB (0.53) ACACBACACA
Hydrochloric Acid SCHEMBL3496101 0.76 ACACB (0.44) ACACBACACAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ACACB 6/4885ACACA 1/4885HRH3 4836/4885

“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.