SCHEMBL7136242

SCHEMBL7136242

Cn1cnc(S(=O)(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ TP53 P04637 3/20 0.52
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46

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
SCHEMBL8217502 0.77 ALDH1A1 (0.62) MAPTLMNACKS1BSKP1SKP2
SCHEMBL17718110 0.76 CKS1B (0.48) CKS1BSKP1SKP2KDM4E
SCHEMBL17718114 0.76 DRD2 (0.47) TP53CKS1BSKP1SKP2KDM4E
SCHEMBL1180685 0.76 TGM2 (0.50) POLBMAPTLMNA
SCHEMBL7801295 0.75 SLC6A9 (0.69) KDM4E
SCHEMBL7137625 0.75 ALDH1A1 (0.57) POLBTP53
SCHEMBL7136025 0.75 ACACB (0.52) MAPTLMNACKS1BSKP1SKP2
SCHEMBL22165808 0.74 DRD2 (0.46) CKS1BSKP1SKP2KDM4E
SCHEMBL19201221 0.74 DRD2 (0.46) CKS1BSKP1SKP2KDM4E
SCHEMBL12590248 0.73 DRD2 (0.54) CKS1BSKP1SKP2KDM4E

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 POLB 2078/4885TP53 4662/4885MAPT 1657/4885

“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.

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