SCHEMBL1921265

SCHEMBL1921265

CC(C)(C)OC(=O)Cn1ccc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PDK2 Q15119 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NAMPT P43490 1/20 0.43
ESR2 Q92731 1/20 0.42
ROCK2 O75116 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TSHR P16473 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
SCHEMBL27819809 0.85 ATM (0.39) MAPTLMNAALDH1A1PDK2ROCK2
SCHEMBL8857983 0.83 MAPT (0.53) MAPTLMNAALDH1A1PDK2SMN1; SMN2
Tert-Butyl Formate SCHEMBL27819810 0.81 ROCK2 (0.39) ROCK2
SCHEMBL17024931 0.79 MAPT (0.45) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL29841020 0.79 MAPT (0.45) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL8663624 0.78 MAPT (0.50) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5202837 0.77 MAPT (0.47) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL20676201 0.77 KRAS (0.47) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL19145537 0.77 LOXL2 (0.47) ALDH1A1MEN1KMT2AESR2CHRM2
SCHEMBL5573222 0.75 MAPT (0.76) MAPTLMNAALDH1A1PDK2SMN1; SMN2

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 9 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
EP-2326666-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO 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 MAPT 4500/4885LMNA 4077/4885ALDH1A1 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.