SCHEMBL4487331

SCHEMBL4487331

CC(C)CN(Cc1ccccc1Cc1ccccn1)[C@H]1CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MC4R P32245 1/20 0.36
OPRM1 P35372 3/20 0.35
SLC6A4 P31645 6/20 0.35
AGTR2 P50052 2/20 0.35
PTPRA P18433 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
SCHEMBL5761746 0.79 SLC6A4 (0.43) SLC6A2SLC6A3SLC6A4
SCHEMBL4690565 0.78 SLC6A2 (0.41) SLC6A2SLC6A3MC4ROPRM1SLC6A4
SCHEMBL5925320 0.75 SLC6A2 (0.53) SLC6A2SLC6A3DPP4DPP8SLC6A4
SCHEMBL4487330 0.74 USP30 (0.44)
SCHEMBL2855874 0.62 NPC1 (0.35)
SCHEMBL4102370 0.60 RBP4 (0.38) L3MBTL1
SCHEMBL28089929 0.60 L3MBTL1 (0.57) CYP1A2L3MBTL1AGTR2
SCHEMBL25282262 0.60 HRH3 (0.39)
SCHEMBL28343693 0.60 L3MBTL1 (0.53) L3MBTL1
SCHEMBL1946158 0.59 L3MBTL1 (0.48) L3MBTL1

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-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 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-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A2 CYP1A2 179/4885SLC6A2 1/4885SLC6A3 2/4885

“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.