SCHEMBL4226587

SCHEMBL4226587

COc1cccc2c1CC(N[C@@H](C(=O)N(c1ccccc1)c1ccccc1)C(F)(F)C(=O)OF)CC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.50
MTNR1B P49286 8/20 0.50
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
EPHX2 P34913 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
DRD3 P35462 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
Trifluoroacetic Acid SCHEMBL4226583 0.74 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4217159 0.70 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8890686 0.69 MTNR1A (0.66) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9733990 0.68 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4380022 0.67 CHRM4 (0.42) CYP1A2
SCHEMBL9558544 0.67 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9355809 0.67 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL3919777 0.67 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9731258 0.66 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8893102 0.66 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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 (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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 MTNR1A 2710/4885MTNR1B 2160/4885CYP1A2 604/4885

“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.