SCHEMBL4480453

SCHEMBL4480453

O=C(O)N1CC[C@@H](NCc2ccccc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 5/20 0.47
TEAD1 P28347 3/20 0.47
RBP4 P02753 2/20 0.47
MRGPRX1 Q96LB2 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TACR1 P25103 1/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
P2RX7 Q99572 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4476067 1.00 SIGMAR1 (0.53) SIGMAR1KDM4ETEAD1RBP4MRGPRX1
SCHEMBL19970345 1.00 SIGMAR1 (0.53) SIGMAR1KDM4ETEAD1RBP4MRGPRX1
SCHEMBL19970343 0.94 SIGMAR1 (0.56) SIGMAR1KDM4ETEAD1RBP4MRGPRX1
SCHEMBL5119863 0.93 KDM4E (0.53) SIGMAR1KDM4ERBP4MRGPRX1ALDH1A1
SCHEMBL4486493 0.85 P2RX7 (0.48) TEAD1BCHEACHEBACE1P2RX7
SCHEMBL4484252 0.85 TEAD1 (0.45) SIGMAR1TEAD1BCHEACHEBACE1
SCHEMBL16269040 0.84 SCN9A (0.51) SIGMAR1KDM4ETACR1P2RX7CYP2C9
SCHEMBL5758822 0.84 SCN9A (0.51) SIGMAR1KDM4ETACR1P2RX7CYP2C9
SCHEMBL19970346 0.82 CYP2C9 (0.47) SIGMAR1KDM4ERBP4ALDH1A1MEN1
SCHEMBL19970340 0.82 CYP2C9 (0.47) SIGMAR1KDM4ERBP4ALDH1A1MEN1

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 3 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
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP 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 SIGMAR1 166/4885KDM4E 1943/4885TEAD1 1983/4885

“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.