SCHEMBL3496642

SCHEMBL3496642

CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(N2CCCC3(CCN(C(C)C)C3=O)C2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.80
ACACA Q13085 19/20 0.80

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
SCHEMBL3495322 0.92 ACACB (0.79) ACACBACACA
SCHEMBL3494096 0.91 ACACB (0.68) ACACBACACA
SCHEMBL3494433 0.90 ACACB (0.74) ACACBACACA
SCHEMBL3496698 0.89 ACACB (1.00) ACACBACACA
Hydrochloric Acid SCHEMBL3497337 0.88 ACACB (0.99) ACACBACACA
SCHEMBL13402359 0.87 ACACB (0.63) ACACBACACA
SCHEMBL3493667 0.86 ACACB (0.81) ACACBACACA
SCHEMBL3493393 0.85 ACACB (1.00) ACACBACACA
SCHEMBL3494778 0.85 ACACB (0.82) ACACBACACA
SCHEMBL3493595 0.82 ACACB (0.69) 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-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB ACACB 3/4885ACACA 1/4885

“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.