SCHEMBL27098014

SCHEMBL27098014

C[C@H]1C[C@@H](OCC2CC(OCCOC3CN(C(=O)OCc4ccccc4)C3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GRIN2B Q13224 3/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39

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
SCHEMBL27098012 0.90 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTR2CHCRTR2
SCHEMBL26351934 0.83 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHCRTR2CYP2C19
SCHEMBL26644642 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CHCRTR2
SCHEMBL27098016 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL27098011 0.79 KCNK3 (0.37) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27098008 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL27098041 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AHTR2CHCRTR2
SCHEMBL20086404 0.77 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL26048837 0.77 TSHR (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14372548 0.77 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 — — 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN SMN1; SMN2 1058/4885NPC1 2550/4885RAB9A 1429/4885

“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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