SCHEMBL950733

SCHEMBL950733

CC(N[C@H]1CCNC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SLC6A2 P23975 8/20 0.42
SLC6A4 P31645 8/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A3 Q01959 4/20 0.40
HTR3A P46098 1/20 0.40
MC4R P32245 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
SOS1 Q07889 1/20 0.38
P2RX7 Q99572 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL950734 1.00 RAB9A (0.46) RAB9ASLC6A2SLC6A4LMNATP53
SCHEMBL950732 1.00 RAB9A (0.46) RAB9ASLC6A2SLC6A4LMNATP53
SCHEMBL3317620 0.74 ADRB2 (0.41) RAB9ASLC6A2SLC6A4KCNH2SLC6A3
Hydrochloric Acid SCHEMBL28591270 0.72 CASR (0.35) KCNH2MC4R
SCHEMBL3317547 0.70 HTR6 (0.45) SLC6A2SLC6A4LMNACYP2D6SLC6A3
SCHEMBL8210156 0.69 LMNA (0.67) RAB9ASLC6A4LMNATP53HTT
SCHEMBL12330899 0.69 SSTR4 (0.51) CYP2D6
SCHEMBL31053298 0.69 SSTR4 (0.51) CYP2D6
SCHEMBL21933590 0.69 SSTR4 (0.51) CYP2D6
SCHEMBL12330949 0.69 SSTR4 (0.51) CYP2D6

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-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 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-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists GRM3, GRM1, GRIA3 RAB9A 1009/4885SLC6A2 1059/4885SLC6A4 437/4885

“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.