SCHEMBL19652188

SCHEMBL19652188

CN(C(=O)C(C)(C)C)C1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CYP3A4 P08684 2/20 0.48
AKR1C3 P42330 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
KCNH2 Q12809 4/20 0.45
DEGS1 O15121 1/20 0.45
CHRM4 P08173 1/20 0.45
NPY5R Q15761 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
USP30 Q70CQ3 2/20 0.42
MCHR1 Q99705 1/20 0.42
PDK2 Q15119 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41

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
SCHEMBL19658390 0.86 NOTUM (0.55) NOTUMCA12CA2CA9CYP3A4
SCHEMBL19652187 0.85 NOTUM (0.56) NOTUMCYP3A4LMNAMAPT
SCHEMBL19652129 0.85 NPY5R (0.53) NOTUMDRD2DRD4CHRM4NPY5R
SCHEMBL5543855 0.83 NOTUM (0.49) NOTUMCA12CA2CA9CYP3A4
SCHEMBL19652214 0.83 MAPT (0.41) LMNAMAPTNPY5RMCHR1
SCHEMBL19652212 0.83 NPY5R (0.42) LMNAMAPTNPY5R
SCHEMBL7299663 0.78 NPY5R (0.46) NOTUMCA12CA2CA9LMNA
SCHEMBL17754020 0.76 CYP3A4 (0.51) NOTUMCA12CA2CA9CYP3A4
SCHEMBL3644097 0.74 NOTUM (0.51) NOTUMCA12CA2CA9CYP3A4
SCHEMBL7293116 0.74 MAPT (0.54) LMNAMAPT

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 NOTUM 2215/4885CA12 2427/4885CA2 1543/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 NOTUM 2215/4885CA12 2427/4885CA2 1543/4885

“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.