SCHEMBL17507601

SCHEMBL17507601

CC1(C)CC(OC(=O)c2ccc(C(=O)OC3CC(C)(C)NC(C)(C)C3)c3ccccc23)CC(C)(C)N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
KMT2A Q03164 2/20 0.46
EZH2 Q15910 3/20 0.46
CYP3A4 P08684 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
CHRNA1 P02708 2/20 0.40
CHRNG P07510 2/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
HTR3A P46098 2/20 0.40

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
SCHEMBL17507688 0.96 GAA (0.68) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17507611 0.94 GAA (0.64) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17507728 0.92 GAA (0.63) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17522721 0.91 GAA (0.61) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17507717 0.90 GAA (0.63) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL1556556 0.89 GAA (0.74) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL29793926 0.89 GAA (0.74) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17522726 0.89 GAA (0.66) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17507712 0.87 GAA (0.56) GAAKMT2AEZH2CYP3A4LMNA
SCHEMBL17522733 0.85 GAA (0.54) GAAKMT2AEZH2CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982731-B1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-08 EP disclosed
US-9643924-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-09 US disclosed
US-9643924-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
US-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
EP-2982731-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2016-02-10 EP 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-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, CCND1 GAA 4581/4885KMT2A 1730/4885EZH2 1677/4885

“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.