SCHEMBL20095686

SCHEMBL20095686

CN(C)[C@@H]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
HTR2A P28223 4/20 0.51
HTR2B P41595 4/20 0.51
HRH3 Q9Y5N1 2/20 0.51
DRD2 P14416 1/20 0.49
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL20095724 1.00 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL20095707 1.00 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL20096265 1.00 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL20095961 1.00 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL20095708 1.00 HTR2C (0.54) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL21311631 0.92 HTR2C (0.44) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL23639074 0.90 HTR2C (0.52) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL21311693 0.90 HTR2C (0.52) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL21311629 0.84 HTR1A (0.38) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL20095849 0.84 MGLL (0.42) HTR2CHTR1AHTR7

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO 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 (1 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HTR2C 1243/4885HTR2A 2222/4885HTR2B 1239/4885

“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.