SCHEMBL6074446

SCHEMBL6074446

CCCCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
TP53 P04637 2/20 0.61
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
DRD2 P14416 7/20 0.59
DRD3 P35462 7/20 0.59
HTR6 P50406 5/20 0.59
HTR2A P28223 4/20 0.59
HTR2C P28335 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 2/20 0.59
MLNR O43193 3/20 0.54
MAPT P10636 4/20 0.53
KCNH2 Q12809 1/20 0.52
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL6074092 0.80 ALDH1A1 (0.54) LMNATP53ALDH1A1MAPTRECQL
SCHEMBL2301176 0.80 FFAR1 (0.61) LMNATP53FFAR1FFAR4DRD2
SCHEMBL31681351 0.79 FFAR4 (0.81) LMNATP53FFAR1FFAR4DRD2
SCHEMBL6982597 0.79 ALDH1A1 (0.53) LMNATP53HTR6ALDH1A1MAPT
SCHEMBL6074095 0.79 GHSR (0.67) POLBGHSR
SCHEMBL28751618 0.79 ALDH1A1 (0.56) LMNAHTR6ALDH1A1MAPTRECQL
SCHEMBL6074068 0.79 CES1 (0.61) LMNAHTR6ALDH1A1MAPTRECQL
SCHEMBL6074493 0.78 KMT2A (0.75) LMNAALDH1A1MAPTRECQLUSP2
SCHEMBL7151939 0.78 FFAR1 (0.78) FFAR1FFAR4DRD2DRD3HTR6
SCHEMBL6793103 0.78 HTR7 (0.53) LMNAHTR2AHTR2CALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LMNA 2593/4885TP53 4344/4885FFAR1 110/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LMNA 2593/4885TP53 4344/4885FFAR1 110/4885

“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.