SCHEMBL7136125

SCHEMBL7136125

CCOC(=O)c1cc2ccccc2n1-c1ccc(S(=O)(=O)N2CCC(C=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.55
NOD1 Q9Y239 4/20 0.55
HTT P42858 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7130791 0.86 NOD2 (0.52) NOD2NOD1HTTKMT2AMEN1
SCHEMBL7135533 0.76 ADRB3 (0.63)
SCHEMBL7135535 0.76 ADRB3 (0.63)
SCHEMBL7156745 0.76 ADRB3 (0.63)
SCHEMBL7134323 0.76 ADRB2 (0.47) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL8296756 0.75 ALDH1A1 (0.63) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL7131538 0.73 HTT (0.53) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL6298947 0.72 NOD2 (0.68) NOD2NOD1HTTKMT2AMEN1
SCHEMBL6894539 0.72 NOD2 (1.00) NOD2NOD1HTTKMT2AMEN1
SCHEMBL29567743 0.72 NOD2 (1.00) NOD2NOD1HTTKMT2AMEN1

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 2 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

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 NOD2 816/4885NOD1 899/4885HTT 715/4885

“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.