SCHEMBL3479604

SCHEMBL3479604

C[C@H]1C[C@]2(CCN1C(=O)O)C(=O)NC(=O)N2c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
NOTUM Q6P988 2/20 0.40
NSD2 O96028 1/20 0.38
ALOX5 P09917 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CNR2 P34972 1/20 0.36
RIPK1 Q13546 1/20 0.35
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
METAP2 P50579 1/20 0.34

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
SCHEMBL3479505 0.90 MCHR1 (0.41) MCHR1NOTUMNSD2ALOX5CHRM2
SCHEMBL13030986 0.86 MCHR1 (0.48) MCHR1CHRM2CHRM1OPRM1KCNH2
SCHEMBL13030985 0.80 MCHR1 (0.47) MCHR1NOTUMNSD2ALOX5DRD2
SCHEMBL13030992 0.77 MCHR1 (0.41) MCHR1CHRM2CHRM1OPRM1KCNH2
SCHEMBL3479525 0.75 BACE1 (0.49) MCHR1
SCHEMBL5305865 0.75 BACE1 (0.41) ALOX5ADAMTS5OPRM1METAP2
SCHEMBL4734282 0.75 BACE1 (0.41) ALOX5ADAMTS5OPRM1METAP2
Trifluoroacetic Acid SCHEMBL4254495 0.74 BACE1 (0.47) MCHR1
Trifluoroacetic Acid SCHEMBL3479431 0.74 BACE1 (0.47) MCHR1
SCHEMBL14248524 0.69 ADAMTS5 (0.36) ALOX5ADAMTS5DRD2DRD3METAP2

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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 MCHR1 4417/4885NOTUM 487/4885NSD2 3703/4885

“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.