SCHEMBL21294783

SCHEMBL21294783

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
SCN9A Q15858 3/20 0.47
CCR2 P41597 2/20 0.46
GUSB P08236 1/20 0.43
HCRTR2 O43614 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
USP5 P45974 1/20 0.41
DRD2 P14416 1/20 0.41
GRIN2B Q13224 1/20 0.40
EPHX2 P34913 1/20 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
SCHEMBL21307056 0.86 SCN9A (0.46) HTR2CSCN9ACCR2GUSBHCRTR2
SCHEMBL21306627 0.86 SCN9A (0.46) HTR2CSCN9ACCR2GUSBHCRTR2
SCHEMBL21294772 0.85 CCR2 (0.46) HTR2CCCR2GUSBTAS1R3TAS1R1
SCHEMBL21294655 0.85 HTR2C (0.48) HTR2CCCR2GUSBTAS1R3TAS1R1
SCHEMBL21294786 0.84 SCN9A (0.50) HTR2CSCN9A
SCHEMBL21294826 0.84 SCN9A (0.55) HTR2CSCN9ACCR2
SCHEMBL23140857 0.82 HTR2C (0.49) HTR2CSCN9ACCR2HCRTR2DRD2
SCHEMBL21294862 0.81 SCN9A (0.51) HTR2CSCN9ACCR2TAS1R3TAS1R1
SCHEMBL28495431 0.81 SCN9A (0.44) HTR2CSCN9AGUSB
SCHEMBL20063536 0.81 SCN9A (0.46) HTR2CSCN9ACCR2HCRTR2DRD2

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 2475/4885SCN9A 2136/4885CCR2 1546/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 HTR2C 823/4885SCN9A 90/4885CCR2 2153/4885

“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.