SCHEMBL20126360

SCHEMBL20126360

CCC1CCC(c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL16749061 0.84 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM4ELMNAGAA
SCHEMBL20126345 0.82 OPRL1 (0.38) OPRL1L3MBTL1ALDH1A1
SCHEMBL20126362 0.78 L3MBTL1 (0.31) L3MBTL1PDK2PDK4
SCHEMBL17108421 0.78 TRPV3 (0.35) OPRL1ALDH1A1
SCHEMBL14864483 0.78 OPRL1 (0.42) OPRL1
SCHEMBL9406095 0.78 TRPV3 (0.38) OPRL1ALDH1A1
SCHEMBL9406090 0.78 TRPV3 (0.38) OPRL1ALDH1A1
SCHEMBL12716502 0.76 OPRL1 (0.39) OPRL1ALDH1A1
SCHEMBL26044763 0.75 OPRL1 (0.33) OPRL1ALDH1A1
SCHEMBL5837247 0.74 TRPV3 (0.36) 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 313/4885L3MBTL1 1506/4885PDK2 378/4885

“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.