SCHEMBL22797533

SCHEMBL22797533

CC1(C)OC2O[C@]3(CC[C@H]3O)C(OCc3ccccc3)C2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ PDE4D Q08499 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ GSTP1 P09211 2/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CTSV O60911 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ CTSF Q9UBX1 1/20 0.32

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
SCHEMBL22797519 1.00 OPRM1 (0.36) OPRM1OPRL1ALDH1A1DPP4IDO1
SCHEMBL22798485 0.86 OPRM1 (0.35) OPRM1OPRL1ALDH1A1DPP4IDO1
SCHEMBL22797550 0.81 ALDH1A1 (0.34) OPRM1OPRL1ALDH1A1IDO1PDE4D
SCHEMBL22797551 0.81 ALDH1A1 (0.34) OPRM1OPRL1ALDH1A1IDO1PDE4D
SCHEMBL24673802 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ABCHE
SCHEMBL22797523 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ABCHE
SCHEMBL22797534 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ABCHE
SCHEMBL24673919 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ABCHE
SCHEMBL22797520 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ABCHE
SCHEMBL22797481 0.81 ALDH1A1 (0.38) OPRM1OPRL1ALDH1A1IDO1CYP2C19

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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 — — US disclosed
WO-2020249663-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 — — 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 OPRM1 3432/4885OPRL1 2608/4885ALDH1A1 248/4885

“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.

Send feedback