SCHEMBL2125408

SCHEMBL2125408

CC(Cc1ccccc1Cl)CC(O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
PNMT P11086 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
BLM P54132 1/20 0.36
PPARG P37231 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
SCHEMBL14862584 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL18568255 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL16534760 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL14520626 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL29679143 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL2423546 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL9480324 0.74 IDO1 (0.50) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL8224139 0.73 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL2126234 0.73 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL2126031 0.72 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-05-03 US disclosed
EP-2443097-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
WO-2010146111-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 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-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 SLC6A2 4204/4885SLC6A4 2556/4885SLC6A3 3282/4885

“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.