SCHEMBL2127284

SCHEMBL2127284

CC(Cc1ccccc1Cl)CC1(C(C)(C)C)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PNMT P11086 1/20 0.33
IDO1 P14902 1/20 0.33
ANPEP P15144 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2A13 Q16696 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
CNR1 P21554 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL8021114 0.79 IDO1 (0.38) SLC6A2SLC6A4SLC6A3HTTKDM4E
SCHEMBL2126992 0.74 TAAR1 (0.40) SLC6A2SLC6A4SLC6A3HTTKDM4E
SCHEMBL19262095 0.70 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNAHTT
SCHEMBL8224139 0.69 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3LMNAHTT
SCHEMBL2126031 0.68 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL16462516 0.68 PNMT (0.54) SLC6A2SLC6A4SLC6A3LMNAHTT
SCHEMBL14862584 0.68 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL2125408 0.67 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL196980 0.66 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3LMNAPNMT
SCHEMBL30435689 0.66 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3LMNAPNMT

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.