SCHEMBL6677462

SCHEMBL6677462

COc1cccc(Sc2ccc(CCCNC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.51
MTNR1B P49286 8/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.44
NQO2 P16083 1/20 0.44

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
SCHEMBL5073633 0.84 MTNR1A (0.71) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL4463389 0.81 SMN1; SMN2 (0.57) MTNR1AMTNR1BKMT2ANQO2
SCHEMBL5072982 0.81 POLB (0.58) MTNR1AMTNR1BPOLB
SCHEMBL6678463 0.80 ABCC9 (0.54) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL6541155 0.78 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL6676699 0.78 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL9632174 0.77 POLB (0.57) POLB
SCHEMBL1095100 0.76 MTNR1A (0.62) MTNR1AMTNR1BKMT2AMEN1POLB
SCHEMBL6541474 0.74 POLB (0.50) MTNR1AMTNR1BKMT2APOLB
SCHEMBL140038 0.73 SMN1; SMN2 (0.67) MTNR1AMTNR1BKMT2ANQO2

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 MTNR1A 1674/4885MTNR1B 1266/4885KMT2A 505/4885

“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.