SCHEMBL20126201

SCHEMBL20126201

COC1CCC(C2CCC(c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.33
OPRL1 P41146 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL20126324 0.96 HCRTR2 (0.34) HCRTR2OPRL1ALDH1A1
SCHEMBL12975731 0.82 HCRTR2 (0.37) HCRTR2OPRL1
SCHEMBL12975802 0.82 HCRTR2 (0.37) HCRTR2OPRL1
SCHEMBL16749128 0.82 L3MBTL1 (0.34) OPRL1ALDH1A1
SCHEMBL16749064 0.82 L3MBTL1 (0.37) OPRL1ALDH1A1
SCHEMBL20126321 0.79 GAA (0.36) ALDH1A1
SCHEMBL20126158 0.79
SCHEMBL20126212 0.78 HTR2C (0.38)
SCHEMBL18931537 0.76 OPRL1 (0.32) OPRL1
SCHEMBL20126239 0.75 KDM1A (0.32) ALDH1A1

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 HCRTR2 279/4885OPRL1 313/4885ALDH1A1 47/4885

“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.