SCHEMBL5872401

SCHEMBL5872401

COc1ccc(C(CN)C2(OC=O)CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 7/20 0.47
SLC6A2 P23975 6/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16675669 0.86 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3710148 0.82 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL3036340 0.82 SLC6A2 (0.48) SLC6A4SLC6A3SLC6A2LMNACNR1
Formic Acid SCHEMBL27642652 0.80 SLC6A2 (0.62) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL12188002 0.77 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL8038687 0.77 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL637250 0.77 SLC6A2 (0.70) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrogen Sulfide SCHEMBL28158135 0.76 SLC6A2 (0.68) SLC6A4SLC6A3SLC6A2LMNACNR1
Hydrochloric Acid SCHEMBL3325847 0.76 SLC6A2 (0.71) SLC6A4SLC6A3SLC6A2LMNACNR1
Acetic Acid SCHEMBL3036343 0.75 SLC6A2 (0.62) SLC6A4SLC6A3SLC6A2LMNACNR1

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-7141697-B2 Process for the preparation of phenethylamine derivatives SANDOZ AG (CH) 2006-11-28 US disclosed
EP-1343750-B1 PROCESS FOR THE PREPARATION OF PHENETHYLAMINE DERIVATIVES CIBA SC HOLDING AG (CH) 2005-01-26 EP disclosed
EP-1343750-A1 PROCESS FOR THE PREPARATION OF PHENETHYLAMINE DERIVATIVES Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
US-20030114711-A1 Process for the preparation of phenethylamine derivatives SANDOZ AG (CH) 2003-06-19 US disclosed
WO-2002050017-A1 PROCESS FOR THE PREPARATION OF PHENETHYLAMINE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-27 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-20030114711-A1 Process for the preparation of phenethylamine derivatives HNMT, HRH3, HRH1 SLC6A4 363/4885SLC6A3 273/4885SLC6A2 119/4885

“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.