SCHEMBL21294829

SCHEMBL21294829

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.42
GUSB P08236 1/20 0.40
DRD2 P14416 1/20 0.40
HCRTR2 O43614 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.38
TACR1 P25103 1/20 0.38
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL21294915 0.83 SCN9A (0.38) HTR2CGUSBDRD2HCRTR2
SCHEMBL21294889 0.83 KDM1A (0.39) HTR2CGUSBHCRTR2KMT2APOLB
SCHEMBL23140857 0.77 HTR2C (0.49) HTR2CDRD2HCRTR2CCR2
SCHEMBL28319367 0.75 HTR2C (0.40) HTR2CGUSBDRD2HCRTR2MAOA
SCHEMBL28487048 0.75 SCN9A (0.46) HTR2CGUSBDRD2HCRTR2TACR1
SCHEMBL20063922 0.73 HTR2C (0.52) HTR2CDRD2MAOAMAOB
SCHEMBL21294827 0.73 HTR2C (0.44) HTR2CDRD2POLBCCR2
SCHEMBL20063931 0.72 HTR2C (0.49) HTR2CDRD2
SCHEMBL21296536 0.72 HTR2C (0.49) HTR2CDRD2
Hydrochloric Acid SCHEMBL23140795 0.72 HTR2C (0.54) HTR2CDRD2MAOAMAOB

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 2475/4885GUSB 268/4885DRD2 3912/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 HTR2C 823/4885GUSB 695/4885DRD2 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.