SCHEMBL7135994

SCHEMBL7135994

O=CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4541451 0.84 TSHR (0.52) KMT2AMEN1ALDH1A1EPHX2HTT
SCHEMBL17988177 0.84 ALDH1A1 (0.60) PKMKDM4EGAAKMT2AMEN1
SCHEMBL27240736 0.84 LMNA (0.67) PKML3MBTL1KDM4EKMT2AMEN1
SCHEMBL28471923 0.83 GAA (0.58) PKML3MBTL1KDM4EGAAKMT2A
SCHEMBL28088582 0.82 MAPT (0.61) PKML3MBTL1KDM4EGAAKMT2A
SCHEMBL1711115 0.80 PKM (0.85) PKML3MBTL1KDM4EKMT2AMEN1
SCHEMBL7130169 0.80 SMN1; SMN2 (0.60) KMT2AALDH1A1EPHX2HTT
SCHEMBL266490 0.80 MEN1 (0.75) PKML3MBTL1KDM4EKMT2AMEN1
SCHEMBL2060095 0.80 PKM (0.62) PKML3MBTL1KDM4EGAAKMT2A
SCHEMBL421636 0.80 EPHX2 (0.57) KMT2AMEN1MAPTHTR2AEPHX2

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 PKM 2218/4885L3MBTL1 4066/4885KDM4E 2450/4885

“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.