SCHEMBL20063477

SCHEMBL20063477

CN(C)[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[C@H]1NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.50
▸ NOTUM Q6P988 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ CASR P41180 3/20 0.45
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ THRB P10828 1/20 0.42
▸ ACACB O00763 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL20095505 0.88 NOTUM (0.52) SCN9ANOTUMALDH1A1CASRHTR3E
SCHEMBL20063498 0.85 CASR (0.51) SCN9ANOTUMALDH1A1CASRHTR3E
SCHEMBL21904711 0.85 CASR (0.51) SCN9ANOTUMALDH1A1CASRHTR3E
SCHEMBL20063903 0.81 NOTUM (0.51) SCN9ANOTUMCASRMAPTTHRB
SCHEMBL20063904 0.81 NOTUM (0.57) SCN9ANOTUMALDH1A1CASRHTR3E
SCHEMBL11544167 0.79 NOTUM (0.57) NOTUMALDH1A1CASRHTR3EHTR3B
SCHEMBL21838591 0.78 NOTUM (0.57) SCN9ANOTUMALDH1A1MAPTACACB
SCHEMBL20095504 0.76 NOTUM (0.49) SCN9ANOTUMALDH1A1CASRHTR3E
SCHEMBL17754046 0.76 ALDH1A1 (0.59) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20095964 0.74 NOTUM (0.54) NOTUMALDH1A1CASRHTR3EHTR3B

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-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 — — US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885NOTUM 3035/4885ALDH1A1 2867/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885NOTUM 3022/4885ALDH1A1 3058/4885

“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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