SCHEMBL20126342

SCHEMBL20126342

CCCCCC1CCC(c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.40
S1PR1 P21453 5/20 0.34
SGPL1 O95470 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL20126371 0.85 MEN1 (0.34) OPRL1
SCHEMBL10043508 0.84 OPRL1 (0.44) OPRL1
SCHEMBL20126347 0.83 OPRL1 (0.39) OPRL1S1PR1SGPL1
SCHEMBL10043434 0.83 OPRL1 (0.43) OPRL1
SCHEMBL10043510 0.83 OPRL1 (0.43) OPRL1
SCHEMBL10043506 0.83 OPRL1 (0.43) OPRL1
SCHEMBL10043463 0.83 OPRL1 (0.43) OPRL1
SCHEMBL10043505 0.81 CYP2C9 (0.44) OPRL1
SCHEMBL10043437 0.81 OPRL1 (0.42) OPRL1
SCHEMBL10043469 0.81 OPRL1 (0.42) OPRL1

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 313/4885S1PR1 583/4885SGPL1 2961/4885

“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.