SCHEMBL4483441

SCHEMBL4483441

O=C(O)N1CC[C@H](NCc2c(F)cccc2Cl)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
P2RX7 Q99572 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP30 Q70CQ3 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5437369 0.83 SIGMAR1 (0.44) ALDH1A1SIGMAR1TMEM97NPC1
SCHEMBL3315210 0.81 SIGMAR1 (0.40) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL4485008 0.81 P2RX7 (0.45) SMN1; SMN2P2RX7NPSR1SIGMAR1POLB
SCHEMBL5762910 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL2468656 0.77 HTT (0.67) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL4482088 0.76 OPRL1 (0.53) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
Formic Acid SCHEMBL5073763 0.76 HTT (0.56) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL1189971 0.75 ACHE (0.60) KMT2AMEN1NPSR1
SCHEMBL16269315 0.75 ACHE (0.60) KMT2AMEN1NPSR1
SCHEMBL20766057 0.75 BCHE (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1SIGMAR1

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 5 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
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO 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 ALDH1A1 249/4885KMT2A 3131/4885MAPT 1363/4885

“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.