SCHEMBL3223937

SCHEMBL3223937

COc1ccc2cccc(C(CO)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.37
MTNR1B P49286 11/20 0.37
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SLC2A1 P11166 1/20 0.34
HTR2C P28335 1/20 0.32
CYP2D6 P10635 2/20 0.32
CCR5 P51681 2/20 0.32
OPRM1 P35372 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL3216011 0.85 SLC2A1 (0.33) MTNR1AMTNR1BSLC2A1HTR2C
SCHEMBL3217443 0.85 SLC2A1 (0.35) MTNR1AMTNR1BSLC2A1HTR2CCYP2D6
SCHEMBL3155389 0.82 MTNR1A (0.48) MTNR1AMTNR1BPRMT5WDR77SLC2A1
SCHEMBL3154477 0.80 MTNR1A (0.44) MTNR1AMTNR1BSLC2A1CCR5
SCHEMBL3551285 0.79 KCNH2 (0.39) SLC2A1
SCHEMBL1712390 0.73 MTNR1A (0.46) MTNR1AMTNR1BHTR2C
SCHEMBL2821724 0.71 KCNH2 (0.43) SLC2A1
SCHEMBL2821729 0.71 KCNH2 (0.43) SLC2A1
SCHEMBL3144806 0.71 SLC2A1 (0.33) MTNR1AMTNR1BSLC2A1HTR2CCCR5
SCHEMBL4428657 0.70 MTNR1A (0.44) MTNR1AMTNR1BSLC2A1CCR5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP 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-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 MTNR1A 3390/4885MTNR1B 3097/4885PRMT5 3781/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB MTNR1A 1695/4885MTNR1B 1409/4885PRMT5 609/4885

“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.