SCHEMBL8250771

SCHEMBL8250771

CCc1ccc(CN(CC)CCNC)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PYCR1 P32322 1/20 0.38
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL15466880 0.85 MAOB (0.50) OPRM1KDM4E
SCHEMBL8252162 0.80 HRH3 (0.63) HRH3PYCR1
SCHEMBL5926009 0.80 HRH3 (0.73) HRH3HDAC8HDAC6PYCR1
SCHEMBL20038291 0.77 GAA (0.38) HRH3DRD4MEN1
SCHEMBL24307302 0.77 HTR1D (0.49) HRH3
SCHEMBL6223178 0.77 HRH3 (0.57) HRH3HDAC8HDAC6KDM4EALDH1A1
SCHEMBL13222337 0.77 HRH3 (0.52) HRH3HDAC8HDAC6KDM4EALDH1A1
SCHEMBL8244555 0.77 MAPT (0.61) HRH3
SCHEMBL16081620 0.75 ATM (0.54) HDAC8KDM4EALDH1A1MEN1
SCHEMBL24603062 0.73 POLB (0.43) ALDH1A1MEN1

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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 HRH3 1065/4885OPRM1 3596/4885OPRK1 2938/4885

“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.