SCHEMBL5482921

SCHEMBL5482921

CCC[C@H](CCNC)Oc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.46
SLC6A4 P31645 10/20 0.42
SLC6A2 P23975 7/20 0.42
CYP2D6 P10635 6/20 0.42
NOS2 P35228 4/20 0.42
HTR2A P28223 3/20 0.41
KCNH2 Q12809 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
CYP2C19 P33261 2/20 0.41
MTOR P42345 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5482917 1.00 MRGPRX4 (0.46) MRGPRX4SLC6A4SLC6A2CYP2D6NOS2
SCHEMBL5482923 1.00 MRGPRX4 (0.46) MRGPRX4SLC6A4SLC6A2CYP2D6NOS2
Hydrochloric Acid SCHEMBL5478117 0.99 MRGPRX4 (0.45) MRGPRX4SLC6A4SLC6A2CYP2D6NOS2
SCHEMBL5476914 0.83 SLC6A2 (0.45) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL5476908 0.83 SLC6A2 (0.45) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL5476916 0.83 SLC6A2 (0.45) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL6327859 0.83 SLC6A4 (0.43) MRGPRX4SLC6A4SLC6A2CYP2D6NOS2
SCHEMBL5481779 0.83 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL5481778 0.83 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6NOS2KCNH2
SCHEMBL5481780 0.83 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6NOS2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US claimed

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-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 MRGPRX4 446/4885SLC6A4 15/4885SLC6A2 3/4885

“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.