SCHEMBL19652187

SCHEMBL19652187

CN(C(=O)C(C)(C)C)C1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
POLB P06746 3/20 0.54
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
GAA P10253 2/20 0.48

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
SCHEMBL19658386 0.88 NOTUM (0.58) NOTUMPOLBALDH1A1MEN1KMT2A
SCHEMBL19652188 0.85 NOTUM (0.52) NOTUMLMNAMAPTCYP3A4
SCHEMBL19652129 0.83 NPY5R (0.53) NOTUML3MBTL1
SCHEMBL19652216 0.82 FFAR1 (0.43) L3MBTL1SIGMAR1
SCHEMBL17754046 0.82 ALDH1A1 (0.59) NOTUMPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL17754019 0.79 ALDH1A1 (0.53) NOTUMPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL4334462 0.77 NOTUM (0.85) NOTUMPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL30173256 0.77 NOTUM (0.85) NOTUMPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL22499991 0.76 NOTUM (0.63) NOTUMPOLBALDH1A1LMNAHTT
SCHEMBL22499989 0.76 NOTUM (0.63) NOTUMPOLBALDH1A1LMNAHTT

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 2215/4885POLB 1307/4885ALDH1A1 1563/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 NOTUM 2215/4885POLB 1307/4885ALDH1A1 1563/4885

“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.