SCHEMBL3277231

SCHEMBL3277231

C[C@@H]1CN(c2ccc3c(c2)OCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
RIPK1 Q13546 3/20 0.42
USP30 Q70CQ3 3/20 0.40
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 1/20 0.38
HDAC1 Q13547 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
PDK2 Q15119 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3277235 1.00 ESR2 (0.44) ESR2NR1H2RIPK1USP30NAMPT
SCHEMBL3281590 0.86 ESR2 (0.48) ESR2NR1H2RIPK1NAMPTGPR119
SCHEMBL3276974 0.85 ABHD6 (0.50) ESR2NR1H2RIPK1USP30NAMPT
SCHEMBL3283648 0.85 ESR2 (0.47) ESR2NR1H2RIPK1USP30NAMPT
SCHEMBL3276230 0.80 RIPK1 (0.43) ESR2NR1H2RIPK1HDAC1USP2
SCHEMBL3279754 0.80 RIPK1 (0.43) ESR2NR1H2RIPK1HDAC1USP2
SCHEMBL31538706 0.79 ESR2 (0.50) ESR2NR1H2RIPK1USP30GPR119
SCHEMBL2986459 0.79 ESR2 (0.65) ESR2NR1H2RIPK1USP30GPR119
SCHEMBL21526480 0.78 NR1H2 (0.66) ESR2NR1H2RIPK1USP30GPR119
SCHEMBL3276386 0.78 ESR2 (0.51) ESR2NR1H2RIPK1USP30LMNA

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 ESR2 1102/4885NR1H2 1395/4885RIPK1 4189/4885

“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.