SCHEMBL9114780

SCHEMBL9114780

C[C@@H](COc1ccc(N)c(F)c1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
SCN9A Q15858 3/20 0.39

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
SCHEMBL9110740 0.84 MTNR1A (0.47) MTNR1AMTNR1BACACBACACAHTR1D
SCHEMBL15968239 0.82 MTNR1A (0.45) MTNR1AMTNR1BACACBACACAHTR1D
SCHEMBL9113027 0.81 MTNR1A (0.44) MTNR1AMTNR1BACACBACACAHTR1D
SCHEMBL9114739 0.80 MTNR1A (0.58) MTNR1AMTNR1BACACBACACA
SCHEMBL9110400 0.80 ALDH1A1 (0.48) MTNR1AMTNR1BACACBACACA
SCHEMBL9113280 0.79 MTNR1A (0.47) MTNR1AMTNR1BACACBACACASCN9A
SCHEMBL3582664 0.78 MTNR1A (0.57) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL15968334 0.77 MAPT (0.58) MTNR1AMTNR1B
SCHEMBL27995830 0.77 MAOB (0.36) GPR88
SCHEMBL27995828 0.77 MAOB (0.36) GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
CN-103347872-A Bicyclic compound TAKAEDA CHEMICAL IND LTD 2013-10-09 CN disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 MTNR1A 2074/4885MTNR1B 1522/4885ACACB 2/4885

“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.