SCHEMBL4626311

SCHEMBL4626311

CN1CCN(CCc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.75
SLC6A4 P31645 6/20 0.63
SLC6A3 Q01959 4/20 0.63
SIGMAR1 Q99720 3/20 0.58
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
ACHE P22303 1/20 0.51
SLC6A2 P23975 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48

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
SCHEMBL4626549 0.89 TSHR (0.73) ALDH1A1SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL2056136 0.86 ALDH1A1 (1.00) ALDH1A1SLC6A4SLC6A3TSHRMEN1
SCHEMBL5450666 0.83 SLC6A4 (0.54) ALDH1A1SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL2092331 0.83 SLC6A4 (0.58) ALDH1A1SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL2056182 0.81 ALDH1A1 (0.89) ALDH1A1SLC6A4SLC6A3TSHRHRH3
SCHEMBL4704073 0.81 SPHK1 (0.55) ALDH1A1SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL2157301 0.80 LTA4H (0.55) ALDH1A1SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2158179 0.80 KCNH2 (0.64) HRH3ACHE
SCHEMBL5540044 0.79 ALDH1A1 (0.49) ALDH1A1SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL5540053 0.79 ALDH1A1 (0.50) ALDH1A1SLC6A4SLC6A3SIGMAR1TSHR

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-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 EP claimed
EP-1957473-A2 PROCESS FOR PREPARING SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2008-08-20 EP disclosed
US-7365076-B2 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2008-04-29 US disclosed
EP-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 EP disclosed
WO-2007067575-A2 PROCESS FOR PREPARING SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES WYETH (US) 2007-06-14 WO disclosed
US-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 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-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use HTR3A, MAOA, FAAH ALDH1A1 445/4885SLC6A4 72/4885SLC6A3 113/4885

“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.