SCHEMBL3496578

SCHEMBL3496578

CC1(C)CC2(CCCN(C3CCN(C(=O)c4cc(N5CCC6(CC5)OCCO6)nc5ccccc45)CC3)C2)C(=O)O1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.63
ACACA Q13085 12/20 0.63
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3497990 0.90 ACACB (0.64) ACACBACACACYP2C9KDM4E
SCHEMBL3498282 0.90 ACACB (0.65) ACACBACACACYP2C9KDM4E
SCHEMBL3496875 0.90 ACACB (0.65) ACACBACACACYP2C9KDM4E
SCHEMBL3497235 0.90 ACACB (0.64) ACACBACACACYP2C9KDM4E
SCHEMBL3496432 0.88 ACACB (0.63) ACACBACACACYP2C9KDM4E
SCHEMBL3497762 0.87 ACACB (0.61) ACACBACACAKDM4E
SCHEMBL13312156 0.86 ACACB (0.70) ACACBACACACYP2C9
SCHEMBL3496368 0.85 ACACB (0.69) ACACBACACACYP2C9
SCHEMBL3497823 0.85 ACACB (0.69) ACACBACACACYP2C9
SCHEMBL3497814 0.85 ACACB (0.59) 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 5 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
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
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 1/4885ALDH1A1 772/4885

“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.