SCHEMBL3276399

SCHEMBL3276399

CC(C)(C)OC(=O)N1CCOc2cccc(Br)c2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
ABHD6 Q9BV23 3/20 0.41
ESR2 Q92731 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NR1H2 P55055 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RECQL P46063 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL19667310 0.86 USP2 (0.44) USP2SMN1; SMN2MAPK1ESR2USP30
SCHEMBL17813928 0.85 USP2 (0.43) USP2SMN1; SMN2MAPK1ESR2USP30
SCHEMBL17813927 0.85 NR1H2 (0.44) USP2SMN1; SMN2MAPK1ESR2USP30
SCHEMBL3277430 0.82 USP2 (0.50) USP2SMN1; SMN2USP30GPR119RECQL
SCHEMBL3276273 0.82 UCHL1 (0.49) UCHL1USP2SMN1; SMN2MAPK1ABHD6
SCHEMBL2986290 0.81 MAPK1 (0.50) UCHL1USP2SMN1; SMN2MAPK1ABHD6
SCHEMBL28466622 0.80 AHR (0.41) SMN1; SMN2ABHD6AHRALDH1A1
SCHEMBL31046947 0.80 MAPK1 (0.57) USP2SMN1; SMN2MAPK1ESR2USP30
SCHEMBL11985662 0.80 MAPK1 (0.57) USP2SMN1; SMN2MAPK1ESR2USP30
SCHEMBL17813929 0.79 ACKR3 (0.39) USP2SMN1; SMN2MAPK1USP30NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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 (3 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 UCHL1 4814/4885USP2 4202/4885SMN1; SMN2 4364/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 UCHL1 4812/4885USP2 4231/4885SMN1; SMN2 4513/4885
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B UCHL1 1368/4885USP2 2256/4885SMN1; SMN2 2200/4885

“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.