SCHEMBL21904711

SCHEMBL21904711

CC(C)N[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1N(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.51
▸ NOTUM Q6P988 1/20 0.49
▸ SCN9A Q15858 2/20 0.47
▸ ACACB O00763 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALOX12 P18054 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL20063498 1.00 CASR (0.51) CASRNOTUMSCN9AACACBLMNA
SCHEMBL20095505 0.87 NOTUM (0.52) CASRNOTUMSCN9AACACBLMNA
SCHEMBL20063477 0.85 SCN9A (0.50) CASRNOTUMSCN9AACACBLMNA
SCHEMBL20063904 0.80 NOTUM (0.57) CASRNOTUMSCN9AACACBMAPT
SCHEMBL20063903 0.79 NOTUM (0.51) CASRNOTUMSCN9AACACBLMNA
SCHEMBL11544167 0.78 NOTUM (0.57) CASRNOTUMACACBLMNAMAPT
SCHEMBL20095964 0.76 NOTUM (0.54) CASRNOTUMLMNAMAPTHTT
SCHEMBL20096221 0.76 NOTUM (0.54) CASRNOTUMLMNAMAPTHTT
SCHEMBL20095504 0.76 NOTUM (0.49) CASRNOTUMSCN9AACACBLMNA
SCHEMBL21838591 0.75 NOTUM (0.57) NOTUMSCN9AACACBLMNAMAPT

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 CASR 1026/4885NOTUM 3035/4885SCN9A 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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