SCHEMBL13624059

SCHEMBL13624059

CCOC(=O)CN(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20322978 0.86 LMNA (0.49) MAPTLMNASMN1; SMN2TSHRRAB9A
SCHEMBL28703573 0.83 RAB9A (0.45) HCRTR2MAPTSMN1; SMN2CYP2C19TSHR
SCHEMBL6485130 0.82 LMNA (0.67) LMNASMN1; SMN2TSHRNPSR1
SCHEMBL7448315 0.82 KMT2A (0.49) MAPTLMNASMN1; SMN2TSHRCA12
SCHEMBL22537802 0.81 HCRTR2 (0.44) HCRTR2MAPTSMN1; SMN2TSHRCA12
SCHEMBL15986419 0.81 MAPT (0.47) MAPTLMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL557889 0.80 SMN1; SMN2 (0.55) MAPTSMN1; SMN2TSHRCA12CA1
SCHEMBL13336146 0.80 LMNA (0.46) HCRTR2MAPTLMNASMN1; SMN2TSHR
SCHEMBL29194883 0.79 PPARG (0.51) MAPTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL27768012 0.79 CA12 (0.45) MAPTLMNASMN1; SMN2TSHRCYP1A2

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF HCRTR2 4524/4885MAPT 480/4885LMNA 4790/4885

“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.