SCHEMBL7136176

SCHEMBL7136176

CCCCCN1CCC(CN)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 9/20 0.61
GNAI3 P08754 8/20 0.61
GNAI1 P63096 8/20 0.61
NCF1 P14598 1/20 0.54
KCNH2 Q12809 2/20 0.53
SPHK1 Q9NYA1 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
SCHEMBL7138426 0.98 GNAO1 (0.65) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL7133353 0.98 GNAO1 (0.65) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL10442381 0.98 GNAO1 (0.65) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL7130155 0.98 GNAO1 (0.65) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL7133428 0.98 GNAO1 (0.65) GNAO1GNAI3GNAI1NCF1KCNH2
Hydrochloric Acid SCHEMBL10442919 0.96 GNAO1 (0.68) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL2007745 0.94 NCF1 (0.56) GNAO1GNAI3GNAI1NCF1KCNH2
Hydrochloric Acid SCHEMBL6181139 0.92 GNAO1 (0.56) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL5119116 0.89 GNAO1 (0.53) GNAO1GNAI3GNAI1NCF1KCNH2
SCHEMBL1540650 0.85 NCF1 (0.60) GNAO1GNAI3GNAI1NCF1

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 GNAO1 328/4885GNAI3 342/4885GNAI1 396/4885

“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.