SCHEMBL3547644

SCHEMBL3547644

O=C(O)C[C@@H](C=CI)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
SLC6A3 Q01959 2/20 0.33
LMNA P02545 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
SCHEMBL3547642 1.00 FFAR1 (0.41) FFAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3665499 0.90 FFAR1 (0.43) FFAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3665498 0.90 FFAR1 (0.43) FFAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3663394 0.88 FFAR1 (0.42) FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL3870787 0.88 FFAR1 (0.42) FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL3663395 0.88 FFAR1 (0.42) FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL3870789 0.88 FFAR1 (0.42) FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL13318423 0.86 CYP2D6 (0.35) FFAR1KMT2AMEN1SLC6A3LMNA
SCHEMBL14286051 0.86 CYP2D6 (0.35) FFAR1KMT2AMEN1SLC6A3LMNA
SCHEMBL13318410 0.86 CYP2D6 (0.35) FFAR1KMT2AMEN1SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139843-B1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC (US) 2013-12-25 EP disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
EP-2139843-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS Amgen, Inc (US) 2010-01-06 EP disclosed
US-7572934-B2 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-08-11 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20090111859-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-04-30 US disclosed
WO-2008130514-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC. (US) 2008-10-30 WO disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 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 (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-20090111859-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 FFAR1 18/4885KMT2A 3040/4885MEN1 3240/4885
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 FFAR1 549/4885KMT2A 1619/4885MEN1 1317/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC FFAR1 699/4885KMT2A 1240/4885MEN1 684/4885

“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.