SCHEMBL20340403

SCHEMBL20340403

CCOC(=O)CN1CN(c2ccccc2)C2(CCCCC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.57
OPRL1 P41146 5/20 0.52
OPRM1 P35372 4/20 0.52
OPRK1 P41145 4/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1L1 Q9UHC9 11/20 0.51
OPRD1 P41143 3/20 0.47

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
SCHEMBL18973052 0.89 BDKRB2 (0.73) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL18972830 0.89 BDKRB2 (0.55) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL12315495 0.88 OPRL1 (0.65) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL20187115 0.88 BDKRB2 (0.59) BDKRB2OPRL1OPRM1OPRK1MEN1
Hydrochloric Acid SCHEMBL17140435 0.88 BDKRB2 (0.54) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL20187136 0.85 MEN1 (0.66) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL17140929 0.82 NPC1L1 (0.65) BDKRB2OPRL1OPRM1OPRK1NPC1L1
SCHEMBL5100454 0.82 BDKRB2 (0.55) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL6162185 0.80 OPRL1 (0.61) BDKRB2OPRL1OPRM1OPRK1MEN1
SCHEMBL13964071 0.80 BDKRB2 (0.52) BDKRB2OPRL1OPRM1OPRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 BDKRB2 344/4885OPRL1 264/4885OPRM1 2568/4885

“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.