SCHEMBL3582664

SCHEMBL3582664

C[C@@H](COc1cccc(F)c1)NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.57
MTNR1B P49286 6/20 0.57
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL3582422 0.81 MRGPRX4 (0.43) MTNR1AMTNR1BMRGPRX4
SCHEMBL10880786 0.78 HTR1D (0.47) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL10874874 0.78 FFAR4 (0.49) HTR1DHTR1B
SCHEMBL9110740 0.78 MTNR1A (0.47) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9114780 0.78 MTNR1A (0.47) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL255566 0.76 USP2 (0.49) MRGPRX4
SCHEMBL29635877 0.76 USP2 (0.49) MRGPRX4
SCHEMBL14593520 0.76 MRGPRX4 (0.49) MTNR1AMTNR1BHTR1DHTR1BMRGPRX4
SCHEMBL15968239 0.76 MTNR1A (0.45) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9113280 0.75 MTNR1A (0.47) MTNR1AMTNR1B

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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 (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-20060270693-A1 Ether derivative UROD, IL5, IL17A MTNR1A 1758/4885MTNR1B 1759/4885HTR1D 1824/4885

“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.