SCHEMBL3489650

SCHEMBL3489650

CN1CCN(c2ccc(N(N)C(=O)C3(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NAMPT P43490 1/20 0.43
GPR119 Q8TDV5 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
PDK2 Q15119 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GAA P10253 1/20 0.36
ESR2 Q92731 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
SCHEMBL3489801 0.93 GAA (0.39) MAPTLMNAALDH1A1NAMPTGPR119
SCHEMBL3489648 0.77 HDAC3 (0.42) MAPTLMNAALDH1A1NAMPTGPR119
SCHEMBL3489412 0.77 MEN1 (0.39) MEN1KMT2A
SCHEMBL3489718 0.74 TSHR (0.45) GPR119MEN1KMT2ATSHR
SCHEMBL1003450 0.71 USP2 (0.44) NAMPTGPR119SMN1; SMN2TSHR
SCHEMBL5573222 0.70 MAPT (0.76) MAPTLMNAALDH1A1NAMPTGPR119
SCHEMBL3489796 0.70 HDAC3 (0.42) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL5539977 0.70 MAPT (0.64) MAPTLMNAALDH1A1NAMPTGPR119
SCHEMBL391708 0.69 USP2 (0.45) GPR119SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL3657178 0.69 MEN1 (0.40) SMN1; SMN2MEN1KMT2ANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A MAPT 3625/4885LMNA 1923/4885ALDH1A1 4612/4885

“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.