SCHEMBL6074352

SCHEMBL6074352

CC(=O)c1ccc(Cl)c(-c2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.50
USP28 Q96RU2 1/20 0.48
BRD4 O60885 1/20 0.43
PRKCI P41743 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CREBBP Q92793 1/20 0.40
PDK2 Q15119 1/20 0.39
PTPN6 P29350 1/20 0.39
HPGD P15428 1/20 0.39
PLA2G7 Q13093 1/20 0.39
EIF4E P06730 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
MGAM O43451 1/20 0.38

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
SCHEMBL3787034 0.86 S100A4 (0.56) S100A4BRD4PRKCIL3MBTL1ALDH1A1
SCHEMBL5793394 0.85 TSHR (0.52) USP28L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL17024750 0.85 S100A4 (0.42) S100A4USP28PRKCIL3MBTL1ALDH1A1
SCHEMBL3780641 0.83 S100A4 (0.56) S100A4BRD4PRKCIL3MBTL1ALDH1A1
SCHEMBL25381781 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL7105778 0.77 PRKCI (0.56) PRKCIALDH1A1MAPTCREBBPHPGD
SCHEMBL11289123 0.77 PLA2G7 (0.45) S100A4ALDH1A1MAPTPTPN6PLA2G7
Hydrochloric Acid SCHEMBL9133913 0.75 PRKCI (0.55) PRKCIALDH1A1MAPTCREBBPHPGD
SCHEMBL3788518 0.75 MAPT (0.55) S100A4PRKCIALDH1A1MAPTCREBBP
SCHEMBL2513542 0.74 MAPT (0.59) S100A4BRD4L3MBTL1ALDH1A1MAPT

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 S100A4 4699/4885USP28 3887/4885BRD4 2504/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 S100A4 4699/4885USP28 3887/4885BRD4 2504/4885

“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.