SCHEMBL20126233

SCHEMBL20126233

C/C=C/ON1C(C)(C)CC(C2CCC(C3CCC(c4ccc(OCCCC)cc4)CC3)CC2)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 9/20 0.41
CYP2C9 P11712 4/20 0.41
CRBN Q96SW2 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 3/20 0.37
CYP3A4 P08684 3/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL20126191 0.92 RAB9A (0.43) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL20126311 0.85 NPC1 (0.41) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL20126120 0.81 RAB9A (0.37) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL20126144 0.81 CRBN (0.34) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL12288978 0.74 RAB9A (0.61) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL10766593 0.73 RAB9A (0.51) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL10766598 0.73 RAB9A (0.51) RAB9AHRH3CYP2C9CRBNNPC1
SCHEMBL20126230 0.72 CACNA2D1 (0.37) HRH3CYP2C9KCNH2CYP3A4
SCHEMBL20126176 0.72 CYP2C9 (0.32) HRH3CYP2C9
SCHEMBL10764762 0.72 CYP2C9 (0.50) RAB9AHRH3CYP2C9CRBNNPC1

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 RAB9A 2023/4885HRH3 85/4885CYP2C9 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.