SCHEMBL3551208

SCHEMBL3551208

CN1CC[C@@H](N)[C@@H]1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.43
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
ATM Q13315 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3548356 0.83 HSD17B2 (0.47) CARM1PRMT6ATMDRD2SLC6A4
SCHEMBL28241887 0.82 PRMT6 (0.45) CARM1PRMT6PRMT8SIGMAR1
SCHEMBL3551226 0.82 PRMT6 (0.45) CARM1PRMT6PRMT8SIGMAR1
SCHEMBL3548008 0.77 ACHE (0.47) SLC6A4SIGMAR1
SCHEMBL8914161 0.76 SPHK2 (0.43) SLC6A3CARM1PRMT6DRD2SLC6A4
SCHEMBL8273946 0.75 GPR119 (0.48)
SCHEMBL13344519 0.75 GPR119 (0.48)
SCHEMBL8915898 0.74 ALDH1A1 (0.43) SLC6A3ALDH1A1SIGMAR1
SCHEMBL24398096 0.73 NR1D2 (0.56) SLC6A3DRD2SLC6A4SIGMAR1
SCHEMBL3550203 0.73 ALDH1A1 (0.41) DRD2ALDH1A1

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-7714021-B2 Pyrrolidin-3-yl compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2010-05-11 US disclosed
US-20080287523-A1 Pyrrolidin-3-Yl Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-11-20 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-20080287523-A1 Pyrrolidin-3-Yl Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, APP SLC6A3 4188/4885CARM1 3648/4885PRMT6 1416/4885

“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.