SCHEMBL13275347

SCHEMBL13275347

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ HTR3E A5X5Y0 1/20 0.30
▸ HTR3B O95264 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ HTR3D Q70Z44 1/20 0.30
▸ HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL13275349 1.00 BCHE (0.32) BCHEBACE1CHRM2CHRM1CHRM3
SCHEMBL15404271 0.79 — —
SCHEMBL15404270 0.79 — —
SCHEMBL15424455 0.77 KDM1A (0.47) KMT2ACCR5
SCHEMBL517028 0.73 RBP4 (0.38) BACE1CHRM2CHRM1CHRM3CHRM4
SCHEMBL2144478 0.72 CYP3A4 (0.35) SMN1; SMN2
SCHEMBL13275909 0.72 CYP3A4 (0.35) SMN1; SMN2
SCHEMBL1443032 0.72 BACE1 (0.33) BACE1
SCHEMBL9896400 0.72 BACE1 (0.33) BACE1
SCHEMBL9896401 0.72 BACE1 (0.33) BACE1

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-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 — — US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 — — 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 (2 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-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 BCHE 4376/4885BACE1 3383/4885CHRM2 2741/4885
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 BCHE 4376/4885BACE1 3383/4885CHRM2 2741/4885

“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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