SCHEMBL418100

SCHEMBL418100

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
GPR3 P46089 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTR2A P28223 1/20 0.33

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 SCHEMBL4363452 0.93 CTRB1 (0.36) CYP1A2TSHRGPR3KMT2AITGB1
SCHEMBL1405873 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL30510259 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1405820 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL4599750 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL4738904 0.88 EPOR (0.42) CYP1A2TSHR
SCHEMBL5548812 0.88 EPOR (0.42) CYP1A2TSHR
SCHEMBL8812896 0.87 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL5497625 0.87 CYP1A2 (0.47) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL30510335 0.87 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB

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-20130012432-A1 Peptides for Treatment of Obesity NOVO NORDISK A/S (DK) 2013-01-10 US disclosed
US-20120021973-A1 Peptides for Treatment of Obesity NOVO NORDISK A/S (DK) 2012-01-26 US disclosed
US-20100173835-A1 Peptides for Treatment of Obesity NOVO NORDISK A/S (DK) 2010-07-08 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 (3 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-20120021973-A1 Peptides for Treatment of Obesity MC4R, GIPR, MC3R CYP1A2 4707/4885TSHR 145/4885GPR3 156/4885
US-20100173835-A1 Peptides for Treatment of Obesity MC4R, GIPR, MC3R CYP1A2 4707/4885TSHR 145/4885GPR3 156/4885
US-20130012432-A1 Peptides for Treatment of Obesity MC4R, GIPR, MC3R CYP1A2 4707/4885TSHR 145/4885GPR3 156/4885

“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.