SCHEMBL3277422

SCHEMBL3277422

CC(C)(C)OC(=O)N1CCOc2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR119 Q8TDV5 4/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
USP30 Q70CQ3 1/20 0.46
NAMPT P43490 1/20 0.46
RIPK1 Q13546 3/20 0.45
ESR2 Q92731 1/20 0.45
IDH1 O75874 1/20 0.44
NR1H2 P55055 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
TGFBR1 P36897 1/20 0.42

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
SCHEMBL3276974 0.91 ABHD6 (0.50) ABHD6USP2SMN1; SMN2GPR119ALDH1A1
SCHEMBL2809581 0.85 ABHD6 (0.67) ABHD6USP2SMN1; SMN2GPR119ALDH1A1
SCHEMBL1010120 0.84 NR1H2 (0.63) ABHD6USP2SMN1; SMN2GPR119ALDH1A1
SCHEMBL15000510 0.84 ESR2 (0.65) ABHD6USP2SMN1; SMN2GPR119ALDH1A1
SCHEMBL3281590 0.83 ESR2 (0.48) ABHD6USP2SMN1; SMN2GPR119ALDH1A1
SCHEMBL19657617 0.82 RIPK1 (0.64) USP2SMN1; SMN2GPR119ALDH1A1MAPT
SCHEMBL3283648 0.82 ESR2 (0.47) ABHD6USP2SMN1; SMN2GPR119ALDH1A1
SCHEMBL30405260 0.81 RIPK1 (0.48) ABHD6USP2SMN1; SMN2USP30RIPK1
SCHEMBL856288 0.81 RIPK1 (0.48) ABHD6USP2SMN1; SMN2USP30RIPK1
SCHEMBL13765601 0.81 RIPK1 (0.48) USP2SMN1; SMN2GPR119USP30RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B ABHD6 1939/4885USP2 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.