SCHEMBL7157133

SCHEMBL7157133

CCCCC[C@@H](O)C(N)CC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
SPHK1 Q9NYA1 2/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CETP P11597 1/20 0.49
HTT P42858 1/20 0.49
UBE2N P61088 1/20 0.49
GNAO1 P09471 6/20 0.43
GNAI3 P08754 5/20 0.43
GNAI1 P63096 5/20 0.43
REN P00797 3/20 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
SCHEMBL7157130 1.00 CYP2D6 (0.49) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL7695865 0.79 GNAO1 (0.50) GNAO1GNAI3GNAI1ALDH1A1KMT2A
SCHEMBL7288187 0.79 REN (0.56) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL27341513 0.75 GNAO1 (0.45) GNAO1GNAI3GNAI1ALDH1A1KMT2A
SCHEMBL5809132 0.73 GNAO1 (0.47) MAPTGNAO1GNAI3GNAI1
SCHEMBL22857493 0.73 GNAO1 (0.47) LMNAGNAO1GNAI3GNAI1
SCHEMBL2783813 0.71 CYP2D6 (0.72) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL9676306 0.70 REN (0.60) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL11526348 0.69 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL16859678 0.69 CYP2D6 (0.76) CYP2D6SPHK1GMNNLMNAPOLB

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 CYP2D6 1273/4885SPHK1 617/4885GMNN 3247/4885

“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.