SCHEMBL16980481

SCHEMBL16980481

CC(C)C1(C)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.36
JAK3 P52333 2/20 0.35
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
PREP P48147 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL18923114 1.00 GRIN2B (0.46) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL13932859 0.90 GRIN2B (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL31105410 0.89 GRIN2B (0.48) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL31104877 0.83 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL15447130 0.82 GRIN2B (0.47) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL4743121 0.81 CYP1A2 (0.41) USP2SMN1; SMN2JAK3TSHR
SCHEMBL12654926 0.81 GRIN2B (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL18923012 0.80 DPP4 (0.32) TSHR
SCHEMBL475482 0.80 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL31105436 0.79 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
EP-2861604-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-01 EP disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US 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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 GRIN2B 94/4885GRIN2C 88/4885USP2 4083/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT GRIN2B 892/4885GRIN2C 758/4885USP2 2328/4885

“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.