SCHEMBL21294655

SCHEMBL21294655

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CCR2 P41597 4/20 0.42
GUSB P08236 1/20 0.42
GRIN2B Q13224 1/20 0.41
EPHX2 P34913 1/20 0.41
USP5 P45974 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
KDM1A O60341 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM4 P08173 1/20 0.39
KCNH2 Q12809 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
SCHEMBL21294783 0.85 HTR2C (0.47) HTR2CCCR2GUSBGRIN2BEPHX2
SCHEMBL21294962 0.85 MAOB (0.42) HTR2CMAOAMAOBGUSBEPHX2
SCHEMBL29481964 0.85 MAOB (0.42) HTR2CMAOAMAOBGUSBEPHX2
SCHEMBL20063742 0.85 MAOB (0.42) HTR2CMAOAMAOBGUSBEPHX2
SCHEMBL21306626 0.85 MAOB (0.42) HTR2CMAOAMAOBGUSBEPHX2
SCHEMBL29481962 0.85 MAOB (0.42) HTR2CMAOAMAOBGUSBEPHX2
SCHEMBL21294772 0.84 CCR2 (0.46) HTR2CMAOAMAOBCCR2GUSB
SCHEMBL21294786 0.83 SCN9A (0.50) HTR2C
SCHEMBL23140797 0.83 TAS1R3 (0.43) EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL21294862 0.82 SCN9A (0.51) HTR2CCCR2TAS1R3TAS1R1TAS1R2

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 2475/4885MAOA 2521/4885MAOB 1656/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 HTR2C 823/4885MAOA 2896/4885MAOB 1125/4885

“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.