SCHEMBL19567293

SCHEMBL19567293

CN1CC(F)(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
DRD4 P21917 1/20 0.48
MAOB P27338 7/20 0.40
MAOA P21397 4/20 0.40
LMNA P02545 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRM3 P20309 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
SCHEMBL6924365 0.78 OPRM1 (0.55) OPRM1DRD4SLC6A4ALDH1A1OPRK1
SCHEMBL18588194 0.78 OPRM1 (0.42) OPRM1
SCHEMBL16303779 0.78 ALDH1A1 (0.36) LMNAALDH1A1GAAL3MBTL1
SCHEMBL19568163 0.77 MAOB (0.40) OPRM1DRD4MAOBMAOAALDH1A1
SCHEMBL26026869 0.77 MAOB (0.40) OPRM1DRD4MAOBMAOAALDH1A1
SCHEMBL20782184 0.77 SMN1; SMN2 (0.58) OPRM1DRD4MAOBMAOAALDH1A1
SCHEMBL20782185 0.77 ALDH1A1 (0.58) OPRM1DRD4MAOBMAOASLC6A2
SCHEMBL19567295 0.77 CHRNA7 (0.41) OPRM1DRD4MAOBMAOALMNA
SCHEMBL26957473 0.77 CHRM2 (0.42) LMNAALDH1A1CHRM3
SCHEMBL12367138 0.76 OPRM1 (0.69) OPRM1DRD4LMNASLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 OPRM1 2365/4885DRD4 4881/4885MAOB 3031/4885

“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.