SCHEMBL21294717

SCHEMBL21294717

[2H]C([2H])([2H])N([C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1N)C([2H])([2H])[2H]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.46
DRD2 P14416 1/20 0.43
KDM1A O60341 2/20 0.41
RCOR1 Q9UKL0 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SCN9A Q15858 2/20 0.39

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
SCHEMBL29481989 1.00 HTR2C (0.46) HTR2CDRD2KDM1ARCOR1HTR2A
SCHEMBL20063859 0.91 HTR2C (0.49) HTR2CDRD2KDM1AHTR2AHTR2B
SCHEMBL28491550 0.91 HTR2C (0.49) HTR2CDRD2KDM1AHTR2AHTR2B
SCHEMBL20063858 0.91 HTR2C (0.49) HTR2CDRD2KDM1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL21294710 0.90 HTR2C (0.50) HTR2CDRD2KDM1ARCOR1HTR2A
Hydrochloric Acid SCHEMBL28517839 0.90 HTR2C (0.50) HTR2CDRD2KDM1ARCOR1HTR2A
SCHEMBL21294957 0.83 SCN9A (0.46) HTR2CDRD2KDM1AHTR2AHTR2B
SCHEMBL29481970 0.83 SCN9A (0.46) HTR2CDRD2KDM1AHTR2AHTR2B
SCHEMBL31495941 0.81 HTR2C (0.49) HTR2CDRD2KDM1AHTR2AHTR2B
SCHEMBL28495431 0.79 SCN9A (0.44) HTR2CSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 HTR2C 2475/4885DRD2 3912/4885KDM1A 4612/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 HTR2C 823/4885DRD2 2128/4885KDM1A 3431/4885

“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.