SCHEMBL7094513

SCHEMBL7094513

NCCc1ccc(NC2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
GHSR Q92847 3/20 0.48
KMT2A Q03164 3/20 0.48
FKBP1A P62942 2/20 0.47
MEN1 O00255 2/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
MLNR O43193 1/20 0.44

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
Formic Acid SCHEMBL7095535 0.96 LMNA (0.52) LMNAMAPTTHRBSMN1; SMN2TSHR
SCHEMBL7092210 0.89 LMNA (0.49) LMNAMAPTTHRBSMN1; SMN2TSHR
SCHEMBL7623896 0.83 ADRB3 (0.66)
SCHEMBL7138004 0.79 ADRB3 (0.70)
SCHEMBL7095423 0.79 ADRB3 (0.70)
SCHEMBL7094555 0.75 ADRB1 (0.60) SMN1; SMN2TSHRALDH1A1KMT2AMEN1
Formic Acid SCHEMBL7094256 0.72 ADRB1 (0.59) SMN1; SMN2TSHRALDH1A1KMT2AMEN1
Formic Acid SCHEMBL7095380 0.72 TPSAB1 (0.57) SMN1; SMN2KMT2AMEN1MLNR
SCHEMBL7091415 0.72 KMT2A (0.59) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL13571358 0.71 ATM (0.74) LMNAMAPTSMN1; SMN2TSHRALDH1A1

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
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (2 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 LMNA 2367/4885MAPT 1539/4885THRB 225/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LMNA 1884/4885MAPT 1106/4885THRB 254/4885

“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.