SCHEMBL7137015

SCHEMBL7137015

NCC1CCN(CCCCCCCCCCCCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.47
GNAO1 P09471 4/20 0.42
GNAI3 P08754 3/20 0.42
GNAI1 P63096 3/20 0.42
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRM5 P08912 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM3 P20309 5/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CXCR4 P61073 1/20 0.37
CCR3 P51677 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4417566 0.92 NCF1 (0.50) NCF1GNAO1GNAI3GNAI1CHRM2
SCHEMBL103579 0.84 NCF1 (0.54) NCF1GNAO1GNAI3GNAI1CXCR4
SCHEMBL7133428 0.81 GNAO1 (0.65) NCF1GNAO1GNAI3GNAI1KCNH2
SCHEMBL7138426 0.81 GNAO1 (0.65) NCF1GNAO1GNAI3GNAI1KCNH2
SCHEMBL7130155 0.81 GNAO1 (0.65) NCF1GNAO1GNAI3GNAI1KCNH2
SCHEMBL29244364 0.81 GNAO1 (0.46) GNAO1GNAI3GNAI1CHRM2CHRM4
SCHEMBL7133353 0.81 GNAO1 (0.65) NCF1GNAO1GNAI3GNAI1KCNH2
SCHEMBL10442381 0.81 GNAO1 (0.65) NCF1GNAO1GNAI3GNAI1KCNH2
SCHEMBL6948020 0.80 GNAI3 (0.63) GNAO1GNAI3GNAI1CHRM2CHRM4
SCHEMBL8108223 0.80 GNAI3 (0.63) GNAO1GNAI3GNAI1CHRM2CHRM4

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 NCF1 4460/4885GNAO1 328/4885GNAI3 342/4885

“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.