SCHEMBL4912644

SCHEMBL4912644

CCCCC(N)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.68
SLC6A3 Q01959 17/20 0.68
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
SLC6A2 P23975 9/20 0.50
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL14277682 1.00 SLC6A4 (0.68) SLC6A4SLC6A3CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL1864 0.98 SLC6A4 (0.66) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL10550753 0.91 SLC6A4 (0.71) SLC6A4SLC6A3CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL2283 0.89 SLC6A4 (0.69) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864280 0.86 SLC6A4 (0.58) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9863701 0.85 SLC6A4 (0.59) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9863714 0.85 SLC6A4 (0.59) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9863885 0.84 SLC6A4 (0.58) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864587 0.84 SLC6A4 (0.57) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864001 0.83 SLC6A4 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214870-A1 Method of Preparing Amine Stereoisomers HAN ZHENGXU 2008-09-04 US disclosed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 US disclosed
US-20060287539-A1 Method of preparing amine stereoisomers HAN ZHENGXU 2006-12-21 US disclosed
US-7129378-B2 Method of preparing amine stereoisomers APSINTERM, LLC (US) 2006-10-31 US disclosed
US-20050165240-A1 Method of preparing amine stereoisomers APSINTERM, LLC 2005-07-28 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 (3 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-20050165240-A1 Method of preparing amine stereoisomers SRM, TST, SMOX SLC6A4 262/4885SLC6A3 449/4885CYP3A4 730/4885
US-20080214870-A1 Method of Preparing Amine Stereoisomers SRM, PNMT, SMS SLC6A4 50/4885SLC6A3 150/4885CYP3A4 247/4885
US-20060287539-A1 Method of preparing amine stereoisomers SRM, PNMT, SMS SLC6A4 50/4885SLC6A3 150/4885CYP3A4 247/4885

“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.