SCHEMBL22797480

SCHEMBL22797480

CC1(C)O[C@H]2O[C@]3(C[C@H](O)C3)[C@@H](OCc3ccc4ccccc4c3)[C@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ GSTA2 P09210 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ GSTM1 P09488 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ALOX5 P09917 3/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ REN P00797 2/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GBA1 P04062 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
SCHEMBL22797422 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL24674004 0.90 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL22798838 0.86 ALDH1A1 (0.38) GSTP1MEN1KMT2AALDH1A1
SCHEMBL22797481 0.86 ALDH1A1 (0.38) GSTP1MEN1KMT2AALDH1A1
SCHEMBL24674006 0.86 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL22797429 0.85 GSTA2 (0.40) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL18371665 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL22799884 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL20959993 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL16708499 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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 SLC6A2 789/4885SLC6A4 778/4885SLC6A3 558/4885

“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.

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