SCHEMBL21294957

SCHEMBL21294957

CN(C1CCC1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.46
HTR2C P28335 5/20 0.46
DRD2 P14416 1/20 0.43
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
KDM1A O60341 1/20 0.40
HRH3 Q9Y5N1 2/20 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
SCHEMBL29481970 1.00 SCN9A (0.46) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL20063858 0.89 HTR2C (0.49) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL20063859 0.89 HTR2C (0.49) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL28491550 0.89 HTR2C (0.49) SCN9AHTR2CDRD2HTR2AHTR2B
Hydrochloric Acid SCHEMBL21294710 0.88 HTR2C (0.50) SCN9AHTR2CDRD2HTR2AHTR2B
Hydrochloric Acid SCHEMBL28517839 0.88 HTR2C (0.50) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL23140876 0.85 SCN9A (0.46) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL21294717 0.83 HTR2C (0.46) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL29481989 0.83 HTR2C (0.46) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL21311693 0.82 HTR2C (0.52) SCN9AHTR2CDRD2HTR2AHTR2B

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 5 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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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 SCN9A 2136/4885HTR2C 2475/4885DRD2 3912/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SCN9A 90/4885HTR2C 823/4885DRD2 2128/4885

“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.