SCHEMBL20063387

SCHEMBL20063387

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2C P28335 4/20 0.40
PRMT1 Q99873 1/20 0.35
KDM1A O60341 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
GRIA2 P42262 1/20 0.34
KCNH2 Q12809 1/20 0.34
KIF11 P52732 1/20 0.34
CSNK1E P49674 1/20 0.33

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
SCHEMBL20063870 0.76 RXFP1 (0.41) HTR1AHTR7KIF11
SCHEMBL20063370 0.74 SCN9A (0.41)
SCHEMBL20095965 0.72 HTR1A (0.55) HTR1AHTR7HTR2CKDM1AHTR2A
SCHEMBL20095825 0.72 HTR1A (0.55) HTR1AHTR7HTR2CKDM1AHTR2A
SCHEMBL20096104 0.72 HTR1A (0.55) HTR1AHTR7HTR2CKDM1AHTR2A
SCHEMBL20063476 0.69 SCN9A (0.51) HTR2C
SCHEMBL20063372 0.69 SCN9A (0.49) HTR2C
SCHEMBL20063409 0.69 SCN9A (0.49) HTR2C
SCHEMBL20063410 0.69 SCN9A (0.49) HTR2C
SCHEMBL20063450 0.69 SCN9A (0.49) HTR2C

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 HTR1A 931/4885HTR7 853/4885HTR2C 1243/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HTR1A 955/4885HTR7 884/4885HTR2C 1184/4885

“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.