SCHEMBL7136308

SCHEMBL7136308

NC(=O)C1CCN(CCCCCCCCCCCCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
BCHE P06276 1/20 0.49
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.42
LTA4H P09960 1/20 0.41
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL4427286 0.93 SMN1; SMN2 (0.58) SMN1; SMN2BCHEHRH3GAAALDH1A1
SCHEMBL5878419 0.85 SMN1; SMN2 (0.62) SMN1; SMN2HRH3GAAALDH1A1KDM4E
SCHEMBL30444781 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL7131574 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL17351140 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL3933177 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL474297 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL7135236 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL7137293 0.84 BCHE (0.68) SMN1; SMN2BCHEGAAKCNH2GNAI3
SCHEMBL3687400 0.82 BCHE (0.65) SMN1; SMN2BCHEGAAKCNH2GNAI3

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 SMN1; SMN2 3741/4885BCHE 1828/4885HRH3 241/4885

“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.