SCHEMBL17211116

SCHEMBL17211116

CC(=O)CNC(=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CA2 P00918 4/20 0.36
CA12 O43570 4/20 0.36
CA14 Q9ULX7 2/20 0.36
CA1 P00915 4/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 2/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL17212001 0.86 CA2 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL959018 0.81 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL62352 0.79 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2089321 0.77 TDP1 (0.41) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14276786 0.76 TDP1 (0.39) TDP1MEN1KMT2AGAACA2
SCHEMBL17268452 0.76 TDP1 (0.38) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL4449244 0.75 TDP1 (0.36) TDP1MEN1KMT2AGAACA2
SCHEMBL14152450 0.75 TDP1 (0.36) TDP1MEN1KMT2AGAACA2
SCHEMBL19995511 0.75 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL20543014 0.75 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A

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-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia H. LUNDBECK A/S (DK) 2015-10-29 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-20150307458-A1 Deuterated 1-piperazino-3-phenyl indanes for treatment of schizophrenia HTR2C, DRD2, HTR2A TDP1 3365/4885MAOA 325/4885MAOB 265/4885

“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.