SCHEMBL3050675

SCHEMBL3050675

CC(C)(C)OC(=O)N1CCN(c2ccc3ccn(CCO)c(=O)c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
NR2F2 P24468 1/20 0.44
PDK2 Q15119 1/20 0.43
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42
SUV39H2 Q9H5I1 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
NAMPT P43490 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
SCHEMBL3049159 0.78 KDM4E (0.42) LMNAMAPTSMN1; SMN2HTTPDK2
SCHEMBL7230047 0.78 CDK4 (0.47) LMNAMAPTALDH1A1PDK2GPR119
SCHEMBL15534613 0.75 PDK2 (0.56) LMNAMAPTALDH1A1SMN1; SMN2PDK2
SCHEMBL28572326 0.74 MAPT (0.56) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL1921265 0.74 MAPT (0.48) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8857983 0.74 MAPT (0.53) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL28697181 0.73 LMNA (0.46) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL6889069 0.73 LIPE (0.41) GPR119
SCHEMBL5573222 0.73 MAPT (0.76) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL22581814 0.72 CDK8 (0.55) LMNAMAPTALDH1A1SMN1; SMN2HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US 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-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R LMNA 4077/4885MAPT 4500/4885ALDH1A1 4600/4885

“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.