SCHEMBL17624345

SCHEMBL17624345

CC1(Br)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3436829 0.85 USP2 (0.56) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL78071 0.83 USP2 (0.55) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL23875093 0.82 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL17608811 0.82 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL182080 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL13232132 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL18014676 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL18563357 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL25723152 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15770602 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO 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-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) SLC6A3, SLC6A4, SLC6A2 USP2 2155/4885SMN1; SMN2 1644/4885HPGD 4619/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 USP2 4814/4885SMN1; SMN2 3011/4885HPGD 1028/4885

“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.