SCHEMBL21294827

SCHEMBL21294827

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
SCN9A Q15858 10/20 0.40
CCR2 P41597 1/20 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
SCHEMBL21296536 0.87 HTR2C (0.49) HTR2CDRD2SCN9A
SCHEMBL20063931 0.87 HTR2C (0.49) HTR2CDRD2SCN9A
SCHEMBL21306737 0.86 HTR2C (0.40) HTR2CPOLBRAB9ADRD2SCN9A
SCHEMBL23140876 0.83 SCN9A (0.46) HTR2CPOLBRAB9ADRD2SCN9A
SCHEMBL23140942 0.82 DRD2 (0.47) HTR2CDRD2SCN9A
SCHEMBL23140860 0.81 DRD2 (0.51) HTR2CDRD2SCN9A
SCHEMBL23140999 0.81 DRD2 (0.51) HTR2CDRD2SCN9A
SCHEMBL21294914 0.80 SCN9A (0.43) HTR2CSCN9A
SCHEMBL21294888 0.80 SCN9A (0.42) SCN9A
SCHEMBL21296523 0.80 SCN9A (0.42) SCN9A

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 2475/4885POLB 4090/4885RAB9A 1099/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 HTR2C 823/4885POLB 4466/4885RAB9A 3448/4885

“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.