SCHEMBL13312062

SCHEMBL13312062

CCN1C(=O)CC2(CCCN(C3CCNCC3)C2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.49
ACACA Q13085 13/20 0.49
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 SCHEMBL3498452 0.99 ACACB (0.48) ACACBACACACHRM2CHRM3ALDH1A1
SCHEMBL13312092 0.86 ACACB (0.37) ACACBACACACHRM2CHRM3L3MBTL3
Hydrochloric Acid SCHEMBL3498469 0.85 ACACB (0.36) ACACBACACACHRM2CHRM3
SCHEMBL13312077 0.81 ACACB (0.34) ACACBACACA
SCHEMBL3495995 0.81 ACACB (0.44) ACACBACACAALDH1A1
SCHEMBL3497552 0.81 ACACB (0.52) ACACBACACACHRM2CHRM3
SCHEMBL13312080 0.81 HRH3 (0.36) ACACBACACAL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3496101 0.81 ACACB (0.44) ACACBACACAALDH1A1
Hydrochloric Acid SCHEMBL3497909 0.81 ACACB (0.34) ACACBACACA
Hydrochloric Acid SCHEMBL3498939 0.80 HRH3 (0.35) ACACBACACA

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 1/4885CHRM2 3242/4885

“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.