SCHEMBL4626033

SCHEMBL4626033

Brc1cc(CCN2CCNCC2)cc(Br)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 6/20 0.53
▸ THRB P10828 6/20 0.53
▸ SIGMAR1 Q99720 4/20 0.50
▸ SLC6A4 P31645 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ LTA4H P09960 1/20 0.46
▸ SLC6A3 Q01959 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ESR1 P03372 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ AR P10275 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL4647652 0.80 SIGMAR1 (0.46) THRATHRBSIGMAR1SLC6A4LTA4H
SCHEMBL3963041 0.77 SIGMAR1 (0.79) SIGMAR1SLC6A4LTA4HSLC6A3HTR1A
SCHEMBL41969 0.77 SIGMAR1 (0.79) SIGMAR1SLC6A4LTA4HSLC6A3HTR1A
Hydrochloric Acid SCHEMBL2195558 0.75 SIGMAR1 (0.77) SIGMAR1SLC6A4LTA4HSLC6A3HTR1A
SCHEMBL29393817 0.75 SIGMAR1 (0.77) SIGMAR1SLC6A4LTA4HSLC6A3HTR1A
Hydrochloric Acid SCHEMBL16739273 0.75 SIGMAR1 (0.77) SIGMAR1SLC6A4LTA4HSLC6A3HTR1A
SCHEMBL1873419 0.75 HTR1A (0.58) SIGMAR1SLC6A4HRH3LTA4HSLC6A3
SCHEMBL22151427 0.71 LTA4H (0.79) HRH3LTA4HEGFR
SCHEMBL8668531 0.71 SLC6A3 (0.70) SIGMAR1SLC6A4HRH3SLC6A3HTR1A
SCHEMBL28598401 0.70 GAA (0.65) THRATHRBESR1NR3C1PGR

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
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
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-20070129377-A1 Process for Preparing Substituted Aryl Cycloalkanol Derivatives WYETH (US) 2007-06-07 — — 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-20070129377-A1 Process for Preparing Substituted Aryl Cycloalkanol Derivatives CYP1A2, CYP3A7, CYP3A43 THRA 2170/4885THRB 1422/4885SIGMAR1 1046/4885

“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.

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