SCHEMBL3495422

SCHEMBL3495422

CC1=NC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)N1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.50
ACACA Q13085 6/20 0.50
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
HCAR1 Q9BXC0 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3498060 0.87 ACACB (0.42) ACACBACACACTSDCTSEBACE1
SCHEMBL3494691 0.85 ACACB (0.54) ACACBACACACTSDCTSEBACE1
SCHEMBL3498146 0.81 ACACB (0.56) ACACBACACACTSDCTSEBACE1
SCHEMBL13402162 0.80 ACACB (0.46) ACACBACACAHRH3
SCHEMBL3497862 0.80 ACACB (0.44) ACACBACACACTSDCTSEBACE1
SCHEMBL3498814 0.80 ACACB (0.44) ACACBACACACTSDCTSEBACE1
SCHEMBL3496691 0.80 KDM4E (0.42) CTSDCTSEBACE1HCAR1HRH3
SCHEMBL3497114 0.80 MAPT (0.40) ACACBACACACTSDCTSEBACE1
Hydrochloric Acid SCHEMBL3494711 0.79 ACACB (0.46) ACACBACACAHRH3
SCHEMBL3494586 0.79 ACACB (0.48) ACACBACACACTSDCTSEBACE1

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 1/4885CTSD 4279/4885

“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.