SCHEMBL18986983

SCHEMBL18986983

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CC(C(F)(F)F)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MGLL Q99685 4/20 0.51
FAAH O00519 4/20 0.51

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
SCHEMBL19917154 0.80 CYP1A2 (0.55) CYP1A2CYP2D6MGLLFAAH
SCHEMBL25259084 0.80 CYP1A2 (0.55) CYP1A2CYP2D6MGLLFAAH
SCHEMBL25297278 0.79 CYP1A2 (0.50) CYP1A2CYP2D6MGLLFAAH
SCHEMBL29082797 0.78 GAA (0.55) CYP1A2CYP2D6MGLLFAAH
SCHEMBL2105035 0.78 CYP1A2 (0.57) CYP1A2CYP2D6MGLLFAAH
SCHEMBL25299888 0.78 CYP1A2 (0.57) CYP1A2CYP2D6MGLLFAAH
SCHEMBL25261019 0.78 CYP1A2 (0.60) CYP1A2CYP2D6MGLLFAAH
SCHEMBL18424173 0.77 CYP1A2 (0.73) CYP1A2CYP2D6MGLLFAAH
SCHEMBL26042174 0.77 CYP1A2 (0.69) CYP1A2CYP2D6MGLLFAAH
SCHEMBL29082769 0.76 CYP1A2 (0.80) CYP1A2CYP2D6MGLLFAAH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368112-B Therapeutic compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
EP-3390402-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-10-24 EP disclosed
US-20180297997-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 US disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 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 (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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CYP1A2 2139/4885CYP2D6 2379/4885MGLL 2814/4885
US-20180297997-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CYP1A2 2139/4885CYP2D6 2379/4885MGLL 2814/4885

“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.