SCHEMBL7551247

SCHEMBL7551247

CC(C)C[C@H](N)[C@]1(c2ccc(Cl)cc2)C[C@@H](O)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.65
SLC6A3 Q01959 11/20 0.65
CYP3A4 P08684 2/20 0.65
ALOX15 P16050 2/20 0.65
TSHR P16473 2/20 0.65
TP53 P04637 1/20 0.65
SLC6A2 P23975 6/20 0.47
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2A P28223 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOA P21397 2/20 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
SCHEMBL7550522 1.00 SLC6A4 (0.65) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL7550521 1.00 SLC6A4 (0.65) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL15065547 0.83 SLC6A3 (0.85) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL682189 0.80 CYP3A4 (0.97) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL2378403 0.80 CYP3A4 (0.97) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL2379467 0.80 CYP3A4 (0.97) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL7551912 0.80 SLC6A3 (0.49) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL2739165 0.80 SLC6A3 (0.49) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL7550873 0.80 SLC6A3 (0.49) SLC6A4SLC6A3CYP3A4ALOX15TSHR
Water SCHEMBL10423764 0.79 CYP3A4 (0.94) SLC6A4SLC6A3CYP3A4ALOX15TSHR

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-20020115727-A1 Synthesis, methods of using, and compositions of hydroxylated cyclobutylalkylamines SEPRACOR INC. 2002-08-22 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-20020115727-A1 Synthesis, methods of using, and compositions of hydroxylated cyclobutylalkylamines HTR5A, TPH1, HTR1B SLC6A4 18/4885SLC6A3 43/4885CYP3A4 303/4885

“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.