SCHEMBL20126345

SCHEMBL20126345

CCC1CCC(c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.38
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 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
SCHEMBL16749143 0.89 OPRL1 (0.42) OPRL1
SCHEMBL16749128 0.88 L3MBTL1 (0.34) OPRL1TLR9TLR8TLR7ALDH1A1
SCHEMBL16749064 0.85 L3MBTL1 (0.37) OPRL1ALDH1A1L3MBTL1KDM1ARCOR1
SCHEMBL20126360 0.82 OPRL1 (0.34) OPRL1ALDH1A1L3MBTL1
SCHEMBL20126212 0.81 HTR2C (0.38) L3MBTL1
SCHEMBL10043497 0.80 ESR2 (0.40) OPRL1
SCHEMBL12975800 0.80 ESR2 (0.40) OPRL1
SCHEMBL10043451 0.79 ESR2 (0.42) OPRL1ALDH1A1
SCHEMBL10043430 0.79 ESR2 (0.42) OPRL1ALDH1A1
SCHEMBL10043498 0.79 CYP2C9 (0.46) OPRL1ALDH1A1

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 OPRL1 313/4885TLR9 1230/4885TLR8 1995/4885

“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.