SCHEMBL1268804

SCHEMBL1268804

O=C1CC(c2ccc(F)cc2)CN1c1ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.36
▸ GRM5 P41594 4/20 0.35
▸ HTR6 P50406 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ REN P00797 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
SCHEMBL1269328 0.91 HTR6 (0.36) GRM5HTR6POLBLMNAPDE4A
SCHEMBL1269529 0.90 PROKR1 (0.40) PROKR1GRM5LMNAALDH1A1PDE4A
SCHEMBL1269350 0.87 PROKR1 (0.38) PROKR1HTR6NPC1POLBRAB9A
SCHEMBL1269325 0.85 SMN1; SMN2 (0.40) GRM5HTR6POLBLMNAALDH1A1
SCHEMBL1268280 0.85 PROKR1 (0.39) PROKR1GRM5HTR6POLBLMNA
SCHEMBL1268371 0.84 PROKR1 (0.42) PROKR1GRM5LMNAALDH1A1PDE4A
SCHEMBL1268426 0.78 LMNA (0.37) POLBRAB9ALMNATP53TSHR
SCHEMBL1269182 0.75 TP53 (0.38) NPC1POLBLMNAALDH1A1TP53
SCHEMBL1269223 0.74 HTR6 (0.41) HTR6
SCHEMBL1269577 0.74 GRM5 (0.33) GRM5

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP PROKR1 3668/4885GRM5 2287/4885HTR6 3561/4885

“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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