SCHEMBL3489130

SCHEMBL3489130

CCCCC[C@@H](CC1CC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.50
OXTR P30559 1/20 0.50
RAMP1 O60894 1/20 0.49
CALCRL Q16602 1/20 0.49
NOTCH1 P46531 3/20 0.48
RBPJ Q06330 2/20 0.48
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
KCNH2 Q12809 1/20 0.47
SCN9A Q15858 2/20 0.47
NOTCH3 Q9UM47 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL13501672 0.91 CCKBR (0.63) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3486674 0.91 CCKBR (0.63) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3486334 0.91 CCKBR (0.63) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL13434950 0.82 CCKBR (0.71) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3487085 0.82 CCKBR (0.71) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3486542 0.81 CCKBR (0.68) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3486941 0.80 CCKBR (0.67) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3486975 0.80 CCKBR (0.67) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3487371 0.79 CCKBR (0.52) CCKBRNOTCH1RBPJPSEN1PSEN2
SCHEMBL3487374 0.79 CCKBR (0.52) CCKBRNOTCH1RBPJPSEN1PSEN2

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-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-18 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 (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-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 CCKBR 3027/4885OXTR 3242/4885RAMP1 1347/4885

“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.