SCHEMBL3630580

SCHEMBL3630580

CC(C)(C)OC(=O)CCc1ccc(N)cc1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ CHRNA7 P36544 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ FFAR1 O14842 8/20 0.36
▸ FFAR4 Q5NUL3 7/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ADRA2B P18089 1/20 0.35

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
SCHEMBL3694006 0.89 MTNR1A (0.39) MTNR1AMTNR1BNR1H2HDAC8
SCHEMBL27698058 0.85 MTNR1A (0.53) MTNR1AMTNR1BAKR1B1NR1H2ADRA2B
SCHEMBL23465487 0.83 NR1H2 (0.42) FFAR4NR1H2POLB
SCHEMBL27740503 0.82 MTNR1A (0.40) MTNR1AMTNR1BCHRNA7FFAR1FFAR4
SCHEMBL8413349 0.81 PRKCI (0.44) NR1H2POLB
SCHEMBL3502904 0.81 CYP4F2 (0.50) —
SCHEMBL23465360 0.80 NR1H4 (0.38) MTNR1AMTNR1BNR1H2HDAC8
SCHEMBL6675032 0.80 NQO2 (0.49) AKR1B1
SCHEMBL4199804 0.80 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL29059884 0.79 CTSS (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 — — 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 MTNR1A 220/4885MTNR1B 436/4885CHRNA7 1492/4885

“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.

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