SCHEMBL7130747

SCHEMBL7130747

O=CNC1CCN(NC(=O)NC2CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 3/20 0.53
▸ ADH1C P00326 3/20 0.53
▸ ADH1A P07327 3/20 0.53
▸ ADH4 P08319 1/20 0.53
▸ ADH7 P40394 2/20 0.50
▸ EPHX1 P07099 10/20 0.48
▸ EPHX2 P34913 5/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL28249045 0.79 EPHX1 (0.59) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7135616 0.75 EPHX1 (0.48) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
Cyclohexylformamide SCHEMBL28496813 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2109469 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9206597 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22988657 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
Cyclohexylformamide SCHEMBL26146 0.73 — —
SCHEMBL245391 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2112448 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL645299 0.73 ADH1B (1.00) ADH1BADH1CADH1AADH4ADH7

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 ADH1B 3463/4885ADH1C 230/4885ADH1A 661/4885

“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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