SCHEMBL21838591

SCHEMBL21838591

CN(C)[C@H]1CN(c2cccc(C(F)(F)F)c2)CC[C@@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.57
▸ POLB P06746 2/20 0.45
▸ SCN9A Q15858 2/20 0.44
▸ ACACB O00763 2/20 0.44
▸ SLC6A9 P48067 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 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
SCHEMBL21838613 0.88 NOTUM (0.60) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL22499991 0.86 NOTUM (0.63) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL22499989 0.86 NOTUM (0.63) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL21838630 0.83 NOTUM (0.53) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL11544167 0.82 NOTUM (0.57) NOTUMPOLBACACBLMNAHTT
SCHEMBL20063904 0.80 NOTUM (0.57) NOTUMPOLBSCN9AACACBALDH1A1
SCHEMBL1337159 0.79 CACNA1B (0.51) NOTUMPOLBACACBSLC6A9LMNA
SCHEMBL20063477 0.78 SCN9A (0.50) NOTUMPOLBSCN9AACACBLMNA
SCHEMBL20063903 0.78 NOTUM (0.51) NOTUMPOLBSCN9AACACBLMNA
SCHEMBL20095505 0.78 NOTUM (0.52) NOTUMPOLBSCN9AACACBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — 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 (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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 NOTUM 3035/4885POLB 4679/4885SCN9A 1478/4885

“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.

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