SCHEMBL7130762

SCHEMBL7130762

CS(=O)(=O)Nc1cc(C(O)CN)cc2cc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 13/20 0.57
▸ NR3C1 P04150 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ AR P10275 1/20 0.50
▸ ADRA2C P18825 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ ADRB1 P08588 1/20 0.38
▸ ADRB2 P07550 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
SCHEMBL7120011 0.73 ADRB3 (1.00) ADRB3ADRB2
SCHEMBL3984857 0.73 ADRB3 (1.00) ADRB3ADRB2
SCHEMBL5943668 0.73 ADRB3 (1.00) ADRB3ADRB2
SCHEMBL1557812 0.73 NR3C1 (0.60) NR3C1PGRNR3C2ARIKBKB
SCHEMBL6074999 0.72 ADRB1 (0.56) ADRB3ADRA2CADRA1AADRA1BIKBKB
Hydrochloric Acid SCHEMBL9133378 0.71 ADRB3 (0.71) ADRB3ADRA2CADRA1AADRA1BADRB2
SCHEMBL21920738 0.69 NR3C1 (0.56) NR3C1PGRNR3C2ARIKBKB
SCHEMBL6074384 0.68 ADRB3 (0.65) ADRB3ADRA2CADRA1AADRA1BADRB1
SCHEMBL9445125 0.68 ADRB3 (0.65) ADRB3ADRA2CADRA1AADRA1BADRB1
SCHEMBL7243938 0.68 ADRB3 (0.65) ADRB3ADRA2CADRA1AADRA1BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 — — US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 — — US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS 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 (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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 ADRB3 4/4885NR3C1 266/4885PGR 1205/4885

“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.

Send feedback