SCHEMBL20126182

SCHEMBL20126182

C=CCC/C=C/C1CCC(c2ccc(-c3ccc(C4CC(C)(C)N(OCC)C(C)(C)C4)cc3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
APP P05067 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SGPL1 O95470 1/20 0.32
S1PR1 P21453 1/20 0.32
FASN P49327 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
SCHEMBL20126197 0.86 SGPL1 (0.30) SGPL1S1PR1
SCHEMBL20126198 0.82 CHKA (0.33) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL20126307 0.80 SGPL1 (0.32) SGPL1S1PR1
SCHEMBL20126115 0.79 SGPL1 (0.30) SGPL1S1PR1
SCHEMBL20126304 0.79 CYP2C9 (0.32) CYP2C9SGPL1S1PR1
SCHEMBL20126181 0.79 CYP3A4 (0.35) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL20126229 0.78 SGPL1 (0.31) SGPL1S1PR1
SCHEMBL20126178 0.77 CYP3A4 (0.33) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL20126226 0.77 CYP2C9 (0.31) CYP2C9SGPL1S1PR1
SCHEMBL20126128 0.74

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 CYP3A4 537/4885APP 658/4885CYP2C9 348/4885

“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.