SCHEMBL21294958

SCHEMBL21294958

Cc1cccc([C@H]2CC[C@H](NC(=O)O)[C@@H](N(C)C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.44
HTR2C P28335 2/20 0.43
HDAC4 P56524 1/20 0.41
MGLL Q99685 1/20 0.39
F2 P00734 2/20 0.38
PROKR1 Q8TCW9 1/20 0.38
EPHX2 P34913 1/20 0.38
DRD4 P21917 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
USP5 P45974 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL21294659 0.88 SCN9A (0.45) SCN9A
SCHEMBL21306642 0.85 KDM1A (0.45) SCN9AHTR2CMGLLKMT2A
SCHEMBL21306752 0.85 KDM1A (0.45) SCN9AHTR2CMGLLKMT2A
SCHEMBL21294786 0.85 SCN9A (0.50) SCN9AHTR2C
SCHEMBL21294902 0.81 SCN9A (0.45) SCN9A
SCHEMBL28495431 0.78 SCN9A (0.44) SCN9AHTR2C
SCHEMBL28486910 0.78 HTR2C (0.40) SCN9AHTR2CHDAC4MGLLF2
SCHEMBL20063862 0.77 KDM1A (0.48) SCN9AKMT2A
SCHEMBL21838607 0.77 KDM1A (0.48) SCN9AKMT2A
SCHEMBL21306629 0.76 HTR2C (0.46) SCN9AHTR2CMGLLPROKR1DRD4

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 SCN9A 2136/4885HTR2C 2475/4885HDAC4 646/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SCN9A 90/4885HTR2C 823/4885HDAC4 740/4885

“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.