SCHEMBL20126273

SCHEMBL20126273

CCN1C(C)(C)CC(c2ccc(CCc3ccc(C)cc3)cc2)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
MGLL Q99685 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAOB P27338 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 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
SCHEMBL20126336 0.88 MGLL (0.34) ALDH1A1MGLLMEN1KMT2AHTR2A
SCHEMBL20126215 0.84 SPHK1 (0.44) SPHK1DRD2
SCHEMBL20126190 0.78 SPHK1 (0.37) SPHK1
SCHEMBL20126313 0.78
SCHEMBL20126255 0.75 KDM1A (0.36)
SCHEMBL20126171 0.73 SPHK1 (0.32) SPHK1
SCHEMBL20126146 0.73 ALOX5 (0.30)
SCHEMBL20126186 0.71 NQO1 (0.40) HRH3ALDH1A1KCNH2MAOBDRD2
SCHEMBL20126308 0.71 NQO1 (0.40) ALDH1A1MEN1KMT2AMAOB
SCHEMBL21236031 0.70 SPHK1 (0.46) ALDH1A1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 HRH3 85/4885ALDH1A1 47/4885CYP1A2 61/4885

“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.