SCHEMBL3497983

SCHEMBL3497983

CC(=O)OCCN1C(=O)C2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
KDM1A O60341 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL3497614 0.88 USP30 (0.36) HRH3BACE1CTSDKDM1AKDM4E
Hydrochloric Acid SCHEMBL3498416 0.84 OPRM1 (0.35) ACACBACACAKDM4EMEN1KMT2A
SCHEMBL3496804 0.83 USP30 (0.35) HRH3BACE1CTSDKDM1AHPGD
SCHEMBL3499519 0.79 ACACB (0.58) ACACBACACA
SCHEMBL3498966 0.77 ACACB (0.46) HRH3BACE1CTSDCTSEACACB
SCHEMBL3498814 0.77 ACACB (0.44) HRH3BACE1CTSDCTSEACACB
SCHEMBL3496071 0.77 ACACB (0.50) HRH3BACE1CTSDCTSEACACB
SCHEMBL3496605 0.76 ACACB (0.61) ACACBACACA
SCHEMBL3497615 0.76 ACACB (0.40) ACACBACACA
SCHEMBL14222817 0.75 GRIN2B (0.39) HRH3BACE1CTSDCTSEKDM1A

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 HRH3 4836/4885BACE1 2047/4885CTSD 3300/4885

“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.