SCHEMBL5010489

SCHEMBL5010489

CC1(C)CC(=O)N(CC(=O)O)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PDE4B Q07343 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37

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
SCHEMBL14009881 0.83 HTR1A (0.39) ALDH1A1TSHRPDE4BHTTHTR1A
SCHEMBL22728348 0.80 KMT2A (0.50) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL8294121 0.78 ALDH1A1 (0.43) KMT2AALDH1A1TSHRMEN1HTT
SCHEMBL236431 0.75 TSHR (0.56) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL8088243 0.73 CHRM2 (0.46) KMT2AALDH1A1MEN1HTTHTR1A
SCHEMBL6618863 0.72 TSHR (0.44) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL8283747 0.71 HTR1A (0.42) KMT2AALDH1A1MEN1HTR1ADRD2
SCHEMBL4600179 0.71 TSHR (0.52) KMT2AALDH1A1TSHRMEN1GSK3A
SCHEMBL5334247 0.71 ALDH1A1 (0.51) KMT2AALDH1A1CA12CA9PTGDR2
SCHEMBL14263543 0.71 KMT2A (0.53) KMT2AALDH1A1TSHRMEN1GSK3A

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-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR KMT2A 288/4885ALDH1A1 3412/4885TSHR 71/4885

“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.