SCHEMBL5280569

SCHEMBL5280569

O=S(=O)(CN1CCNCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ PSIP1 O75475 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6245041 0.83 KMT2A (0.67) HTR6SIGMAR1ALDH1A1HTTKMT2A
SCHEMBL16394281 0.81 POLB (0.56) SIGMAR1ALDH1A1HTTKMT2AMEN1
Hydrochloric Acid SCHEMBL2827786 0.81 KMT2A (0.65) HTR6SIGMAR1ALDH1A1HTTKMT2A
SCHEMBL28215129 0.81 MEN1 (0.43) HTR6ALDH1A1HTTKMT2AMEN1
SCHEMBL12929568 0.76 LMNA (0.51) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL29172771 0.72 HTR7 (0.60) HTR6SIGMAR1ALDH1A1HTTSMN1; SMN2
SCHEMBL17246 0.72 MAPT (0.68) HTR6ALDH1A1KMT2AMEN1POLB
SCHEMBL893688 0.72 MAPT (0.68) HTR6ALDH1A1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL16186 0.70 MAPT (0.66) HTR6ALDH1A1KMT2AMEN1POLB
SCHEMBL15284182 0.70 MAPT (0.66) HTR6ALDH1A1POLBSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 — — US claimed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO claimed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — US claimed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 — — US disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — 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-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 HTR6 1538/4885SIGMAR1 4095/4885ALDH1A1 2529/4885

“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