SCHEMBL2556572

SCHEMBL2556572

CC(C)(CN)Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A3 Q01959 2/20 0.63
HTR2A P28223 1/20 0.63
HRH1 P35367 1/20 0.63
HTR2B P41595 1/20 0.63
CHRNA4 P43681 1/20 0.63
TAAR1 Q96RJ0 2/20 0.46
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
LMNA P02545 2/20 0.42
PMP22 Q01453 1/20 0.42
NLRP3 Q96P20 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL10916477 0.89 CYP2D6 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL28848601 0.86 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL10914124 0.82 HRH3 (0.46) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL13815321 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL24268655 0.78 CYP3A4 (0.40) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL4661331 0.78 LOXL2 (0.50) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11489616 0.78 EPHX2 (0.41) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2554590 0.78 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL4674456 0.77 TAAR1 (0.60) SLC6A2HTR2ATAAR1CYP2D6CYP3A4
Chlorphentermine SCHEMBL160516 0.77 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SLC6A4 2620/4885SLC6A2 3041/4885SLC6A3 2847/4885

“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.