SCHEMBL16749062

SCHEMBL16749062

CC1(C)CC(CCc2ccc(CCC3CC(C)(C)NC(C)(C)C3)c(F)c2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
ALDH1A1 P00352 2/20 0.33
NR3C2 P08235 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16749056 0.92 TSHR (0.34) TSHRHTR2AHTR2CALDH1A1NR3C2
SCHEMBL16749051 0.81 TSHR (0.44) TSHRALDH1A1NPSR1KDM4ELMNA
SCHEMBL16749057 0.80 TSHR (0.40) TSHRALDH1A1NPSR1SLC6A4KDM4E
SCHEMBL10708160 0.71 S1PR1 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL10708166 0.71 S1PR1 (0.41) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL20126289 0.71 S1PR1 (0.39) HTR2AHTR2CNR3C2SLC6A2SLC6A4
SCHEMBL20126279 0.71 OPRL1 (0.36) MEN1KMT2A
SCHEMBL16749050 0.70 TSHR (0.42) TSHRALDH1A1NPSR1KDM4ELMNA
SCHEMBL20126295 0.70 NR3C2 (0.32) NR3C2
SCHEMBL10709908 0.69 S1PR1 (0.39) HTR2AHTR2CSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2016-10-06 US disclosed
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2016-10-06 US disclosed
EP-3072885-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-09-28 EP disclosed
WO-2015076077-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2015-05-28 WO 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-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT PLD1, DRD1, CCND1 TSHR 3337/4885HTR2A 276/4885HTR2C 136/4885

“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.