SCHEMBL3495995

SCHEMBL3495995

CC(C)N1C(=O)CC2(CCCN(C3CCNCC3)C2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.44
ACACA Q13085 8/20 0.44
HRH3 Q9Y5N1 4/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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 SCHEMBL3496101 0.99 ACACB (0.44) ACACBACACAHRH3MEN1ALDH1A1
SCHEMBL13312092 0.85 ACACB (0.37) ACACBACACAHRH3
Hydrochloric Acid SCHEMBL3498469 0.84 ACACB (0.36) ACACBACACAHRH3
SCHEMBL13312077 0.82 ACACB (0.34) ACACBACACAHRH3
SCHEMBL13312080 0.82 HRH3 (0.36) ACACBACACAHRH3
Hydrochloric Acid SCHEMBL3497909 0.81 ACACB (0.34) ACACBACACAHRH3
SCHEMBL13312062 0.81 ACACB (0.49) ACACBACACAALDH1A1
SCHEMBL13312090 0.81 HRH3 (0.33) ACACBACACAHRH3
Hydrochloric Acid SCHEMBL3498939 0.81 HRH3 (0.35) ACACBACACAHRH3
Hydrochloric Acid SCHEMBL3498452 0.81 ACACB (0.48) ACACBACACAALDH1A1

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 8 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-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
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 (2 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
US-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB ACACB 3/4885ACACA 1/4885HRH3 3841/4885

“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.