SCHEMBL20126247

SCHEMBL20126247

C=CCCN1C(C)(C)CC(c2ccc(OC(F)(F)C3CCC(CCC)CC3)cc2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20126329 0.84 CYP2C9 (0.43) CYP2C9DRD2ALDH1A1LMNAMAPT
SCHEMBL20126265 0.81 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20126298 0.71 MCHR1 (0.34) DRD2
SCHEMBL20126262 0.69 KDM1A (0.33) DRD2KDM1ARCOR1
SCHEMBL14192304 0.69 THRB (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20126206 0.68 ESR2 (0.38)
SCHEMBL6023340 0.68 CYP2C9 (0.51) CYP2C9DRD2ALDH1A1LMNAMAPT
SCHEMBL6023343 0.68 CYP2C9 (0.51) CYP2C9DRD2ALDH1A1LMNAMAPT
SCHEMBL20126302 0.67 MAOA (0.30)
SCHEMBL15234942 0.67 CYP2C9 (0.39) CYP2C9DRD2ALDH1A1LMNAMAPT

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 CYP2C9 348/4885DRD2 3/4885DRD1 1/4885

“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.